Mrv1533007141517462D 63 65 0 0 1 0 999 V2000 -1.9356 7.8157 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0527 2.9610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6893 8.1513 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2277 2.9610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6947 -0.7901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3653 6.2472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6862 -0.6064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2682 8.3007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4652 2.2465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8803 5.5798 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5066 -0.6926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5232 0.0169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1058 1.5829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7732 2.0679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3567 7.6664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8152 3.6755 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9803 -1.2026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8803 6.9146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5146 0.2006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1529 4.0444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0082 -0.2090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5145 7.9651 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6479 1.9185 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2902 2.2465 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0957 5.8347 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.8422 0.0611 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.7027 0.1031 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0667 3.2239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5602 -0.8221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5269 1.7323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4283 5.3498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6492 0.2326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2902 0.8176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4283 7.1446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3153 1.4336 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7027 2.9610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1104 8.0019 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9902 3.6755 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1529 8.4500 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5145 4.5293 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2012 -0.3805 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7341 2.7390 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7027 1.5321 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3672 -0.6505 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0957 6.6597 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2291 0.6131 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6870 2.8883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3053 -1.6067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1943 2.2172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6131 0.9118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3254 5.6853 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9041 1.0172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4652 0.8176 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3254 6.8091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0690 1.7691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2902 3.6755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5277 2.9610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1819 7.4802 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5617 1.0980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8777 2.9610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2248 5.0199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3614 -0.5801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1521 0.7950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 8 1 1 0 0 0 0 9 2 1 0 0 0 0 10 6 1 0 0 0 0 11 7 1 0 0 0 0 12 5 1 0 0 0 0 14 13 1 0 0 0 0 15 3 1 0 0 0 0 16 4 1 0 0 0 0 17 5 1 0 0 0 0 18 6 1 0 0 0 0 19 7 1 0 0 0 0 22 8 1 0 0 0 0 23 13 1 0 0 0 0 24 9 1 0 0 0 0 25 10 1 0 0 0 0 26 11 1 0 0 0 0 27 12 1 0 0 0 0 28 20 1 0 0 0 0 29 21 1 0 0 0 0 30 14 1 0 0 0 0 25 31 1 6 0 0 0 26 32 1 6 0 0 0 27 33 1 6 0 0 0 34 22 1 0 0 0 0 35 23 1 0 0 0 0 36 24 1 0 0 0 0 37 15 1 0 0 0 0 38 16 1 0 0 0 0 22 39 1 1 0 0 0 40 20 1 4 0 0 0 40 31 2 0 0 0 0 41 21 1 4 0 0 0 41 32 2 0 0 0 0 23 42 1 1 0 0 0 42 28 2 0 0 0 0 24 43 1 6 0 0 0 43 33 2 0 0 0 0 44 17 1 0 0 0 0 44 27 1 0 0 0 0 44 29 1 0 0 0 0 45 18 1 0 0 0 0 45 25 1 0 0 0 0 45 34 1 0 0 0 0 46 19 1 0 0 0 0 46 26 1 0 0 0 0 46 35 1 0 0 0 0 28 47 1 4 0 0 0 48 29 2 0 0 0 0 49 30 2 0 0 0 0 50 30 1 0 0 0 0 51 31 1 0 0 0 0 52 32 1 0 0 0 0 33 53 1 4 0 0 0 54 34 2 0 0 0 0 55 35 2 0 0 0 0 56 36 2 0 0 0 0 57 36 1 0 0 0 0 22 58 1 1 0 0 0 23 59 1 1 0 0 0 24 60 1 6 0 0 0 25 61 1 1 0 0 0 26 62 1 1 0 0 0 27 63 1 1 0 0 0 M END > FDB009222 > foodb > [H][C@](N)(CCCCN)C(=O)N1CCC[C@@]1([H])C(O)=NCC(O)=N[C@@]([H])(CCC(O)=O)C(=O)N1CCC[C@@]1([H])C(O)=NCC(=O)N1CCC[C@@]1([H])C(O)=N[C@@]([H])(CCCCN)C(O)=O > InChI=1S/C36H60N10O11/c37-15-3-1-8-22(39)34(54)45-18-6-10-25(45)31(51)40-20-28(47)42-23(13-14-30(49)50)35(55)46-19-7-11-26(46)32(52)41-21-29(48)44-17-5-12-27(44)33(53)43-24(36(56)57)9-2-4-16-38/h22-27H,1-21,37-39H2,(H,40,51)(H,41,52)(H,42,47)(H,43,53)(H,49,50)(H,56,57)/t22-,23-,24-,25-,26-,27-/m0/s1 > ZABMJSAHPWHMNM-QCOJBMJGSA-N > C36H60N10O11 > 808.935 > 808.444302792 > 18 > 117 > 84.72575739802721 > 0 > 9 > 0 > 0 > (2S)-6-amino-2-({[(2S)-1-[2-({[(2S)-1-[(2S)-4-carboxy-2-{[2-({[(2S)-1-[(2S)-2,6-diaminohexanoyl]pyrrolidin-2-yl](hydroxy)methylidene}amino)-1-hydroxyethylidene]amino}butanoyl]pyrrolidin-2-yl](hydroxy)methylidene}amino)acetyl]pyrrolidin-2-yl](hydroxy)methylidene}amino)hexanoic acid > -2.27 > -7.025446633628811 > -3.96 > 1 > 3 > 1 > 3.5343412294220355 > 3.072136053453377 > 10.506510068689378 > 343.95 > 203.16020000000017 > 23 > 0 > 8.85e-02 g/l > (2S)-6-amino-2-({[(2S)-1-[2-({[(2S)-1-[(2S)-4-carboxy-2-{[2-({[(2S)-1-[(2S)-2,6-diaminohexanoyl]pyrrolidin-2-yl](hydroxy)methylidene}amino)-1-hydroxyethylidene]amino}butanoyl]pyrrolidin-2-yl](hydroxy)methylidene}amino)acetyl]pyrrolidin-2-yl](hydroxy)methylidene}amino)hexanoic acid > 0 > FDB009222 > Collagen $$$$