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Substance Name: 2,5,6,10,13-Pentaazatetradecanedioic acid, 8-hydroxy-12-(1-methylethyl)-3-((methylthio)methyl)-4,11-dioxo-9-(phenylmethyl)-6-((4-(5-thiazolyl)phenyl)methyl)-, dimethyl ester, (3S-(3R*,8R*,9R*,12R*))-
RN: 198903-95-6
InChIKey: APTIZNCZOZNDMV-QFVIIZQESA-N

Molecular Formula

  • C33-H44-N6-O7-S2

Molecular Weight

  • 700.8776
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 198903-95-6

System Generated Number

  • 0198903956

Structure Descriptors

InChI

1S/C33H44N6O7S2/c1-21(2)29(37-33(44)46-4)31(42)35-25(15-22-9-7-6-8-10-22)27(40)18-39(38-30(41)26(19-47-5)36-32(43)45-3)17-23-11-13-24(14-12-23)28-16-34-20-48-28/h6-14,16,20-21,25-27,29,40H,15,17-19H2,1-5H3,(H,35,42)(H,36,43)(H,37,44)(H,38,41)/t25-,26-,27-,29-/m0/s1

InChIKey

APTIZNCZOZNDMV-QFVIIZQESA-N

Smiles

CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](CN(Cc2ccc(cc2)c3cncs3)NC(=O)[C@H](CSC)NC(=O)OC)O)NC(=O)OC