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Substance Name: 2,5,6,10,13-Pentaazatetradecanedioic acid, 3-(1,1-dimethylethyl)-8-hydroxy-12-(1-methylpropyl)-4,11-dioxo-9-(phenylmethyl)-6-((4-(2-thiazolyl)phenyl)methyl)-, dimethyl ester, (3S-(3R*,8R*,9R*,12R*(R*)))-
RN: 198904-06-2
InChIKey: HUUSFDUFQRSWAH-GUTFHCGTSA-N

Molecular Formula

  • C36-H50-N6-O7-S

Molecular Weight

  • 710.892
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 198904-06-2

System Generated Number

  • 0198904062

Structure Descriptors

InChI

1S/C36H50N6O7S/c1-8-23(2)29(39-34(46)48-6)31(44)38-27(20-24-12-10-9-11-13-24)28(43)22-42(41-32(45)30(36(3,4)5)40-35(47)49-7)21-25-14-16-26(17-15-25)33-37-18-19-50-33/h9-19,23,27-30,43H,8,20-22H2,1-7H3,(H,38,44)(H,39,46)(H,40,47)(H,41,45)/t23-,27-,28-,29-,30+/m0/s1

InChIKey

HUUSFDUFQRSWAH-GUTFHCGTSA-N

Smiles

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