1.0 2010-04-08 22:15:14 UTC 2019-11-26 03:19:23 UTC FDB020753 Mytilus Small cardioactive peptide Constituent of the anterior byssus retractor muscles of Mytilus edulis (blue mussel). Mytilus Small cardioactive peptide is found in mollusks. Ala-pro-asn-phe-leu-ala-tyr-pro-arg-leu-NH2 Apnflayprlamide Mytilus SCP C56H85N15O12 1160.3674 1159.650213259 (2S)-2-{[(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidin-2-yl]formamido}-N-[(1S)-1-{[(1S)-1-{[(1S)-1-{[(2S)-1-[(2S)-2-{[(1S)-1-{[(1S)-1-carbamoyl-3-methylbutyl]carbamoyl}-4-[(diaminomethylidene)amino]butyl]carbamoyl}pyrrolidin-1-yl]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl}ethyl]carbamoyl}-3-methylbutyl]carbamoyl}-2-phenylethyl]butanediamide (2S)-2-{[(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidin-2-yl]formamido}-N-[(1S)-1-{[(1S)-1-{[(1S)-1-{[(2S)-1-[(2S)-2-{[(1S)-1-{[(1S)-1-carbamoyl-3-methylbutyl]carbamoyl}-4-[(diaminomethylidene)amino]butyl]carbamoyl}pyrrolidin-1-yl]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl}ethyl]carbamoyl}-3-methylbutyl]carbamoyl}-2-phenylethyl]succinamide 150213-97-1 CC(C)C[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(N)=O InChI=1S/C56H85N15O12/c1-30(2)25-38(46(59)74)65-48(76)37(15-10-22-62-56(60)61)64-52(80)44-17-12-24-71(44)55(83)42(28-35-18-20-36(72)21-19-35)69-47(75)33(6)63-49(77)39(26-31(3)4)66-50(78)40(27-34-13-8-7-9-14-34)67-51(79)41(29-45(58)73)68-53(81)43-16-11-23-70(43)54(82)32(5)57/h7-9,13-14,18-21,30-33,37-44,72H,10-12,15-17,22-29,57H2,1-6H3,(H2,58,73)(H2,59,74)(H,63,77)(H,64,80)(H,65,76)(H,66,78)(H,67,79)(H,68,81)(H,69,75)(H4,60,61,62)/t32-,33-,37-,38-,39-,40-,41-,42-,43-,44-/m0/s1 KGNBMVHUZCHPPM-RSOQHMFVSA-N belongs to the class of organic compounds known as polypeptides. These are peptides containing ten or more amino acid residues. Polypeptides Organic compounds Organic Polymers Polypeptides Aromatic heteromonocyclic compounds 1-hydroxy-2-unsubstituted benzenoids Alanine and derivatives Alpha amino acid amides Amphetamines and derivatives Asparagine and derivatives Azacyclic compounds Carbonyl compounds Carboximidamides Guanidines Hydrocarbon derivatives Leucine and derivatives Monoalkylamines N-acyl amines N-acyl-alpha amino acids and derivatives N-acylpyrrolidines Organic oxides Organopnictogen compounds Peptides Phenylalanine and derivatives Primary carboxylic acid amides Proline and derivatives Propargyl-type 1,3-dipolar organic compounds Pyrrolidinecarboxamides Secondary carboxylic acid amides Tertiary carboxylic acid amides 1-hydroxy-2-unsubstituted benzenoid Alanine or derivatives Alpha peptide Alpha-amino acid amide Alpha-amino acid or derivatives Amine Amino acid or derivatives Amphetamine or derivatives Aromatic heteromonocyclic compound Asparagine or derivatives Azacycle Benzenoid Carbonyl group Carboxamide group Carboximidamide Carboxylic acid derivative Fatty acyl Fatty amide Guanidine Hydrocarbon derivative Leucine or derivatives Monocyclic benzene moiety N-acyl-alpha amino acid or derivatives N-acyl-amine N-acylpyrrolidine N-substituted-alpha-amino acid Organic 1,3-dipolar compound Organic nitrogen compound Organic oxide Organic oxygen compound Organoheterocyclic compound Organonitrogen compound Organooxygen compound Organopnictogen compound Phenol Phenylalanine or derivatives Polypeptide Primary aliphatic amine Primary amine Primary carboxylic acid amide Proline or derivatives Propargyl-type 1,3-dipolar organic compound Pyrrolidine Pyrrolidine carboxylic acid or derivatives Pyrrolidine-2-carboxamide Secondary carboxylic acid amide Tertiary carboxylic acid amide logp 0.70 ALOGPS logs -4.71 ALOGPS solubility 2.24e-02 g/l ALOGPS logp -3.1 ChemAxon pka_strongest_acidic 9.5 ChemAxon pka_strongest_basic 10.77 ChemAxon iupac (2S)-2-{[(2S)-1-[(2S)-2-aminopropanoyl]pyrrolidin-2-yl]formamido}-N-[(1S)-1-{[(1S)-1-{[(1S)-1-{[(2S)-1-[(2S)-2-{[(1S)-1-{[(1S)-1-carbamoyl-3-methylbutyl]carbamoyl}-4-[(diaminomethylidene)amino]butyl]carbamoyl}pyrrolidin-1-yl]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]carbamoyl}ethyl]carbamoyl}-3-methylbutyl]carbamoyl}-2-phenylethyl]butanediamide ChemAxon average_mass 1160.3674 ChemAxon mono_mass 1159.650213259 ChemAxon smiles CC(C)C[C@H](NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=C(O)C=C1)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(N)=O ChemAxon formula C56H85N15O12 ChemAxon inchi InChI=1S/C56H85N15O12/c1-30(2)25-38(46(59)74)65-48(76)37(15-10-22-62-56(60)61)64-52(80)44-17-12-24-71(44)55(83)42(28-35-18-20-36(72)21-19-35)69-47(75)33(6)63-49(77)39(26-31(3)4)66-50(78)40(27-34-13-8-7-9-14-34)67-51(79)41(29-45(58)73)68-53(81)43-16-11-23-70(43)54(82)32(5)57/h7-9,13-14,18-21,30-33,37-44,72H,10-12,15-17,22-29,57H2,1-6H3,(H2,58,73)(H2,59,74)(H,63,77)(H,64,80)(H,65,76)(H,66,78)(H,67,79)(H,68,81)(H,69,75)(H4,60,61,62)/t32-,33-,37-,38-,39-,40-,41-,42-,43-,44-/m0/s1 ChemAxon inchikey KGNBMVHUZCHPPM-RSOQHMFVSA-N ChemAxon polar_surface_area 441.15 ChemAxon refractivity 302.93 ChemAxon polarizability 121.51 ChemAxon rotatable_bond_count 31 ChemAxon acceptor_count 16 ChemAxon donor_count 13 ChemAxon physiological_charge 2 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 302512 Specdb::MsMs 302513 Specdb::MsMs 302514 Specdb::MsMs 345262 Specdb::MsMs 345263 Specdb::MsMs 345264 Specdb::MsMs 2273709 Specdb::MsMs 2273710 Specdb::MsMs 2273711 Specdb::MsMs 3091346 Specdb::MsMs 3091347 Specdb::MsMs 3091348 Specdb::NmrOneD 44102 Specdb::NmrOneD 44103 Specdb::NmrOneD 44104 Specdb::NmrOneD 44105 Specdb::NmrOneD 44106 Specdb::NmrOneD 44107 Specdb::NmrOneD 44108 Specdb::NmrOneD 44109 Specdb::NmrOneD 44110 Specdb::NmrOneD 44111 Specdb::NmrOneD 44112 Specdb::NmrOneD 44113 Specdb::NmrOneD 44114 Specdb::NmrOneD 44115 Specdb::NmrOneD 44116 Specdb::NmrOneD 44117 Specdb::NmrOneD 44118 Specdb::NmrOneD 44119 Specdb::NmrOneD 44120 Specdb::NmrOneD 44121 HMDB40914 #<Reference:0x000055ce32f3ca90> Mollusks Unknown generic 6447