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Substance Name: 2,5,6,10,13-Pentaazatetradecanedioic acid, 8-hydroxy-3-(1-methylethyl)-12-(1-methylpropyl)-4,11-dioxo-9-(phenylmethyl)-6-((4-(2-thiazolyl)phenyl)methyl)-, dimethyl ester, (3S-(3R*,8R*,9R*,12R*(R*)))-
RN: 198904-08-4
InChIKey: JFRXBUNFYMOCOU-LTUSVDMXSA-N

Molecular Formula

  • C35-H48-N6-O7-S

Molecular Weight

  • 696.8652
 
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Names and Synonyms

Synonym

  • 1-(4-(Thiazol-2-yl)-phenyl)-4(S)-hydroxy-2-N-(N-methoxycarbonyl-(L)-valy)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-3-(1-methylethyl)-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

  • 198904-08-4

System Generated Number

  • 0198904084

Structure Descriptors

InChI

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

InChIKey

JFRXBUNFYMOCOU-LTUSVDMXSA-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)NC(=O)OC)O)NC(=O)OC