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Substance Name: 2,5,6,10,13-Pentaazatetradecanedioic acid, 8-hydroxy-3,12-bis(1-methylethyl)-4,11-dioxo-9-(phenylmethyl)-6-((4-(2-thiazolyl)phenyl)methyl)-, dimethyl ester, (3S-(3R*,8R*,9R*,12R*))-
RN: 198904-05-1
InChIKey: HQUYNJRNCQHVNN-DZUOILHNSA-N

Molecular Formula

  • C34-H46-N6-O7-S

Molecular Weight

  • 682.8384
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 198904-05-1

System Generated Number

  • 0198904051

Structure Descriptors

InChI

1S/C34H46N6O7S/c1-21(2)28(37-33(44)46-5)30(42)36-26(18-23-10-8-7-9-11-23)27(41)20-40(39-31(43)29(22(3)4)38-34(45)47-6)19-24-12-14-25(15-13-24)32-35-16-17-48-32/h7-17,21-22,26-29,41H,18-20H2,1-6H3,(H,36,42)(H,37,44)(H,38,45)(H,39,43)/t26-,27-,28-,29-/m0/s1

InChIKey

HQUYNJRNCQHVNN-DZUOILHNSA-N

Smiles

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