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Substance Name: 2,5,6,10,13-Pentaazatetradecanedioic acid, 8-hydroxy-12-(1-methylpropyl)-3-((methylthio)methyl)-4,11-dioxo-9-(phenylmethyl)-6-((4-(2-thiazolyl)phenyl)methyl)-, dimethyl ester, (3S-(3R*,8R*,9R*,12R*(R*)))-
RN: 198904-09-5
InChIKey: RPLXRUVURLOFHM-WQJHFXEDSA-N

Molecular Formula

  • C34-H46-N6-O7-S2

Molecular Weight

  • 714.9044
 
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Names and Synonyms

Synonym

  • 1-(4-(Thiazol-2-yl)-phenyl)-4(S)-hydroxy-2-N-(N-methoxycarbonyl-(L)-S-methylcysteinyl)amino)-5(S)-N-(N-methoxycarbonyl-(L)-iso-leucyl)amino-6-phenyl-2-azahexane

Systematic Name

  • 2,5,6,10,13-Pentaazatetradecanedioic acid, 8-hydroxy-12-(1-methylpropyl)-3-((methylthio)methyl)-4,11-dioxo-9-(phenylmethyl)-6-((4-(2-thiazolyl)phenyl)methyl)-, dimethyl ester, (3S-(3R*,8R*,9R*,12R*(R*)))-

Registry Numbers

CAS Registry Number

  • 198904-09-5

System Generated Number

  • 0198904095

Structure Descriptors

InChI

1S/C34H46N6O7S2/c1-6-22(2)29(38-34(45)47-4)31(43)36-26(18-23-10-8-7-9-11-23)28(41)20-40(39-30(42)27(21-48-5)37-33(44)46-3)19-24-12-14-25(15-13-24)32-35-16-17-49-32/h7-17,22,26-29,41H,6,18-21H2,1-5H3,(H,36,43)(H,37,44)(H,38,45)(H,39,42)/t22-,26-,27-,28-,29-/m0/s1

InChIKey

RPLXRUVURLOFHM-WQJHFXEDSA-N

Smiles

CC[C@H](C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](CN(Cc2ccc(cc2)c3nccs3)NC(=O)[C@H](CSC)NC(=O)OC)O)NC(=O)OC