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Substance Name: 2,5,6,10,13-Pentaazatetradecanedioic acid, 8-hydroxy-12-(1-methylethyl)-3-(1-methylpropyl)-4,11-dioxo-9-(phenylmethyl)-6-((4-(5-thiazolyl)phenyl)methyl)-, dimethyl ester, (3S-(3R*(R*),8R*,9R*,12R*))-
RN: 198903-94-5
InChIKey: GADJPGPKQYKZQH-FTBTXDGJSA-N

Molecular Formula

  • C35-H48-N6-O7-S

Molecular Weight

  • 696.8652
 
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Names and Synonyms

Synonym

  • 1-(4-(Thiazol-5-yl)-phenyl)-4(S)-hydroxy-2-N-(N-methoxycarbonyl-(L)-iso-leucyl)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-(1-methylpropyl)-4,11-dioxo-9-(phenylmethyl)-6-((4-(5-thiazolyl)phenyl)methyl)-, dimethyl ester, (3S-(3R*(R*),8R*,9R*,12R*))-

Registry Numbers

CAS Registry Number

  • 198903-94-5

System Generated Number

  • 0198903945

Structure Descriptors

InChI

1S/C35H48N6O7S/c1-7-23(4)31(39-35(46)48-6)33(44)40-41(19-25-13-15-26(16-14-25)29-18-36-21-49-29)20-28(42)27(17-24-11-9-8-10-12-24)37-32(43)30(22(2)3)38-34(45)47-5/h8-16,18,21-23,27-28,30-31,42H,7,17,19-20H2,1-6H3,(H,37,43)(H,38,45)(H,39,46)(H,40,44)/t23-,27-,28-,30-,31-/m0/s1

InChIKey

GADJPGPKQYKZQH-FTBTXDGJSA-N

Smiles

CC[C@H](C)[C@@H](C(=O)NN(Cc1ccc(cc1)c2cncs2)C[C@@H]([C@H](Cc3ccccc3)NC(=O)[C@H](C(C)C)NC(=O)OC)O)NC(=O)OC