Mrv0541 02231218532D 75 78 0 0 1 0 999 V2000 9.4781 -5.8589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5518 -3.6793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1925 -8.7464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5847 -3.8921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0506 -9.5714 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0263 -5.2512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7650 -9.9840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9085 -12.0465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6216 -14.5216 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0519 -9.9840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9099 -10.8090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1954 -12.0465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9071 -5.8589 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9071 -7.5089 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5956 -4.7412 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6216 -9.5714 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0100 -7.4319 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.0506 -11.2215 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8704 -6.1043 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.1940 -10.8090 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.3375 -11.2215 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.0519 -8.3339 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.7665 -12.0465 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.7665 -7.0964 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.3375 -7.0964 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9933 -5.0383 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8003 -4.8668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2129 -5.5813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6608 -6.1944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1925 -6.2714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1925 -7.0964 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3802 -4.4863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4781 -7.5089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6216 -8.7464 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3360 -8.3339 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9071 -8.3339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9825 -4.1892 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7636 -7.0964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3360 -7.5089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1540 -3.3822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0506 -8.7464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3360 -10.8090 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3360 -9.9840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1978 -4.4441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0506 -7.0964 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6774 -6.2758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5409 -2.8301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4795 -11.2215 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6216 -11.2215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4795 -12.0465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7650 -10.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4579 -6.8189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6216 -12.0465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7124 -2.0232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7563 -3.0851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6230 -10.8090 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.7650 -12.4590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1940 -12.4590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9085 -11.2215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6230 -9.9840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0993 -1.4711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1431 -2.5331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3360 -12.4590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9071 -12.4590 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3375 -9.5714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3146 -1.7261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3360 -13.2840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9071 -13.2840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3375 -8.7464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0519 -10.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6216 -13.6965 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7665 -11.2215 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.4809 -10.8090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1954 -11.2215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0519 -7.5089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 30 2 0 0 0 0 2 32 2 0 0 0 0 3 36 2 0 0 0 0 4 44 1 0 0 0 0 5 43 2 0 0 0 0 6 44 2 0 0 0 0 7 51 2 0 0 0 0 8 59 2 0 0 0 0 9 71 1 0 0 0 0 10 70 2 0 0 0 0 11 74 1 0 0 0 0 12 74 2 0 0 0 0 13 26 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 31 14 1 1 0 0 0 14 36 1 0 0 0 0 15 32 1 0 0 0 0 37 15 1 6 0 0 0 34 16 1 6 0 0 0 16 43 1 0 0 0 0 17 38 1 0 0 0 0 17 52 1 0 0 0 0 42 18 1 1 0 0 0 18 51 1 0 0 0 0 19 46 1 0 0 0 0 19 52 2 0 0 0 0 48 20 1 1 0 0 0 20 59 1 0 0 0 0 56 21 1 6 0 0 0 21 70 1 0 0 0 0 22 69 1 0 0 0 0 22 75 2 0 0 0 0 72 23 1 6 0 0 0 24 75 1 0 0 0 0 25 75 1 0 0 0 0 26 27 1 0 0 0 0 26 32 1 6 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 30 31 1 0 0 0 0 31 33 1 0 0 0 0 33 38 1 0 0 0 0 34 35 1 0 0 0 0 34 36 1 0 0 0 0 35 39 1 0 0 0 0 35 41 1 6 0 0 0 37 40 1 0 0 0 0 37 44 1 0 0 0 0 38 46 2 0 0 0 0 39 45 1 0 0 0 0 40 47 1 0 0 0 0 42 43 1 0 0 0 0 42 49 1 0 0 0 0 47 54 2 0 0 0 0 47 55 1 0 0 0 0 48 50 1 0 0 0 0 48 51 1 0 0 0 0 49 53 1 0 0 0 0 50 57 1 0 0 0 0 50 58 1 0 0 0 0 53 63 2 0 0 0 0 53 64 1 0 0 0 0 54 61 1 0 0 0 0 55 62 2 0 0 0 0 56 59 1 0 0 0 0 56 60 1 0 0 0 0 60 65 1 0 0 0 0 61 66 2 0 0 0 0 62 66 1 0 0 0 0 63 67 1 0 0 0 0 64 68 2 0 0 0 0 65 69 1 0 0 0 0 67 71 2 0 0 0 0 68 71 1 0 0 0 0 70 72 1 0 0 0 0 72 73 1 0 0 0 0 73 74 1 0 0 0 0 M END > FDB022383 > foodb > CC[C@H](C)[C@H](NC(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CC=CC=C1)C(O)=O > InChI=1S/C50H71N13O12/c1-5-28(4)41(47(72)59-36(23-31-25-54-26-56-31)48(73)63-20-10-14-38(63)45(70)60-37(49(74)75)22-29-11-7-6-8-12-29)62-44(69)35(21-30-15-17-32(64)18-16-30)58-46(71)40(27(2)3)61-43(68)34(13-9-19-55-50(52)53)57-42(67)33(51)24-39(65)66/h6-8,11-12,15-18,25-28,33-38,40-41,64H,5,9-10,13-14,19-24,51H2,1-4H3,(H,54,56)(H,57,67)(H,58,71)(H,59,72)(H,60,70)(H,61,68)(H,62,69)(H,65,66)(H,74,75)(H4,52,53,55)/t28-,33-,34-,35-,36-,37-,38-,40-,41-/m0/s1 > CZGUSIXMZVURDU-JZXHSEFVSA-N > C50H71N13O12 > 1046.1786 > 1045.534514801 > 17 > 107.02263015013746 > 0 > 13 > 0 > 0 > (3S)-3-amino-3-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S,2S)-1-{[(2S)-1-[(2S)-2-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}pyrrolidin-1-yl]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]carbamoyl}-2-methylbutyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-methylpropyl]carbamoyl}-4-[(diaminomethylidene)amino]butyl]carbamoyl}propanoic acid > -0.87 > -5.273500997977861 > -4.83 > 1 > 4 > 1 > 3.758215892810698 > 3.1501064182150276 > 10.833637665559158 > 408.8399999999998 > 269.8094 > 29 > 0 > 1.56e-02 g/l > (3S)-3-amino-3-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S,2S)-1-{[(2S)-1-[(2S)-2-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}pyrrolidin-1-yl]-3-(3H-imidazol-4-yl)-1-oxopropan-2-yl]carbamoyl}-2-methylbutyl]carbamoyl}-2-(4-hydroxyphenyl)ethyl]carbamoyl}-2-methylpropyl]carbamoyl}-4-[(diaminomethylidene)amino]butyl]carbamoyl}propanoic acid > 0 > FDB022383 > Angiotensin II $$$$