 Home > Encyclopedia > 2-[(12S,18S)-18-[3-(diaminomethylideneamino)propyl]-19-methyl-11,14,17,20-tetraoxo-2,3-dithia-10,13,16,19-tetrazatricyclo[19.4.0.04,9]pentacosa-1(25),4,6,8,21,23-hexaen-12-yl]acetic acid

2-[(12S,18S)-18-[3-(diaminomethylideneamino)propyl]-19-methyl-11,14,17,20-tetraoxo-2,3-dithia-10,13,16,19-tetrazatricyclo[19.4.0.04,9]pentacosa-1(25),4,6,8,21,23-hexaen-12-yl]acetic acid

2-[(12S,18S)-18-[3-(diaminomethylideneamino)propyl]-19-methyl-11,14,17,20-tetraoxo-2,3-dithia-10,13,16,19-tetrazatricyclo[19.4.0.04,9]pentacosa-1(25),4,6,8,21,23-hexaen-12-yl]acetic acid structure

CAS No:
136620-00-3
Formula:
C26H31N7O6S2
Chemical Name:
2-[(12S,18S)-18-[3-(diaminomethylideneamino)propyl]-19-methyl-11,14,17,20-tetraoxo-2,3-dithia-10,13,16,19-tetrazatricyclo[19.4.0.04,9]pentacosa-1(25),4,6,8,21,23-hexaen-12-yl]acetic acid
Synonyms:
cyclo-S,S-(2-mercaptobenzoyl-N(alpha)-methylarginyl-glycyl-aspartyl-2-mercaptophenylamide);cyclo-S,S-(Mba-(N(alpha)-Me)Arg-Gly-Asp-Man);SK and F 107260;SK and F-107260;SKF 107260;SK&F 107260;SKF-107260;136620-00-3;CHEMBL18734;2-((7S,13S)-13-(3-guanidinopropyl)-14-methyl-6,9,12,15-tetraoxo-6,7,8,9,10,11,12,13,14,15-decahydro-5H-dibenzo[c,p][1,2]dithia[5,8,11,14]tetraazacycloheptadecin-7-yl)acetic acid;[(7s,13s)-13-{3-[(diaminomethylidene)amino]propyl}-14-methyl-6,9,12,15-tetraoxo-6,7,8,9,10,11,12,13,14,15-decahydro-5h-dibenzo[c,p][1,2,5,8,11,14]dithiatetraazacycloheptadecin-7-yl]acetic acid;Skf 107260;SK&F-107260;Cyclo-S,S-(mba-(N(alpha)-Me)arg-gly-asp-man);DTXSID70159857;BDBM50036088;BDBM50230131;Cyclo-S,S-(2-mercaptobenzoyl-N(alpha)-methylarginyl-glycyl-aspartyl-2-mercaptophenylamide);N2-(2-Mercaptobenzoyl)-N2-methyl-L-arginylglycyl-N-(2-mercaptophenyl)-L-alpha-asparagine cyclic(1-3)-disulfide;[(6S,13S)-13-(3-Guanidino-propyl)-14-methyl-6,9,12,15-tetraoxo-6,7,8,9,10,11,12,13,14,15-decahydro-5H-20,21-dithia-5,8,11,14-tetraaza-dibenzo[a,e]cycloheptadecen-7-yl]-acetic acid;[(7S,13S)-13-(3-Guanidino-propyl)-14-methyl-6,9,12,15-tetraoxo-6,7,8,9,10,11,12,13,14,15-decahydro-5H-20,21-dithia-5,8,11,14-tetraaza-dibenzo[a,e]cycloheptadecen-7-yl]-acetic acid;[13-(3-Guanidino-propyl)-14-methyl-6,9,12,15-tetraoxo-6,7,8,9,10,11,12,13,14,15-decahydro-5H-20,21-dithia-5,8,11,14-tetraaza-dibenzo[a,e]cycloheptadecen-7-yl]-acetic acid (SK&F 107260);L-alpha-Asparagine, N2-(2-mercaptobenzoyl)-N2-methyl-L-arginylglycyl-N-(2-mercaptophenyl)-, cyclic(1-3)-disulfide

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2-[(12S,18S)-18-[3-(diaminomethylideneamino)propyl]-19-methyl-11,14,17,20-tetraoxo-2,3-dithia-10,13,16,19-tetrazatricyclo[19.4.0.04,9]pentacosa-1(25),4,6,8,21,23-hexaen-12-yl]acetic acid Basic Attributes

Molecular Weight：

601.7 g/mol

Exact Mass：

601.17772408 g/mol

DSSTox ID：

DTXSID70159857

Characteristics

PSA：

260 Å²

Drug Information

MeSH Entry Terms：

cyclo-S,S-(2-mercaptobenzoyl-N(alpha)-methylarginyl-glycyl-aspartyl-2-mercaptophenylamide)

Computed Properties

Molecular Weight:601.7
XLogP3:-0.1
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:6
Exact Mass:601.17772408
Monoisotopic Mass:601.17772408
Topological Polar Surface Area:260
Heavy Atom Count:41
Complexity:995
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-[(12S,18S)-18-[3-(diaminomethylideneamino)propyl]-19-methyl-11,14,17,20-tetraoxo-2,3-dithia-10,13,16,19-tetrazatricyclo[19.4.0.04,9]pentacosa-1(25),4,6,8,21,23-hexaen-12-yl]acetic acid

Basic Attributes
Characteristics
Drug Information
Computed Properties
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