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Substance Name: 2,5,6,10,13-Pentaazatetradecanedioic acid, 3-(1,1-dimethylethyl)-6-((4-(2-(1,1-dimethylethyl)-2H-tetrazol-5-yl)phenyl)methyl)-8-hydroxy-12-(1-methylethyl)-4,11-dioxo-9-(phenylmethyl)-, dimethyl ester, (3S-(3R*,8R*,9R*,12R*))-
RN: 198904-21-1
InChIKey: OUEPRMVTAHFWLN-GCXHJFECSA-N

Molecular Formula

  • C37-H55-N9-O7

Molecular Weight

  • 737.8975
 
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Names and Synonyms

Synonym

  • 1-(4-(2-tert-Butyl-2H-tetrazol-5-yl)-phenyl)-4(S)-hydroxy-2-N-(N-methoxycarbonyl-(L)-tert-leucyl)amino)-5(S)-N-(N-methoxycarbonyl-(L)-valyl)amino-6-phenyl-2-azahexane

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 198904-21-1

System Generated Number

  • 0198904211

Structure Descriptors

InChI

1S/C37H55N9O7/c1-23(2)29(39-34(50)52-9)32(48)38-27(20-24-14-12-11-13-15-24)28(47)22-45(43-33(49)30(36(3,4)5)40-35(51)53-10)21-25-16-18-26(19-17-25)31-41-44-46(42-31)37(6,7)8/h11-19,23,27-30,47H,20-22H2,1-10H3,(H,38,48)(H,39,50)(H,40,51)(H,43,49)/t27-,28-,29-,30+/m0/s1

InChIKey

OUEPRMVTAHFWLN-GCXHJFECSA-N

Smiles

CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)[C@H](CN(Cc2ccc(cc2)c3nnn(n3)C(C)(C)C)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O)NC(=O)OC