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Substance Name: 2,5,6,10,13-Pentaazatetradecanedioic acid, 3,12-bis(1,1-dimethylethyl)-6-((4-(2-(1,1-dimethylethyl)-2H-tetrazol-5-yl)phenyl)methyl)-8-hydroxy-4,11-dioxo-9-(phenylmethyl)-, dimethyl ester, (3S,8S,9S,12S)-
RN: 198904-20-0
InChIKey: RXWRDDXNHGYOJF-VZNYXHRGSA-N

Molecular Formula

  • C38-H57-N9-O7

Molecular Weight

  • 751.9243
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 198904-20-0

System Generated Number

  • 0198904200

Structure Descriptors

InChI

1S/C38H57N9O7/c1-36(2,3)29(40-34(51)53-10)32(49)39-27(21-24-15-13-12-14-16-24)28(48)23-46(44-33(50)30(37(4,5)6)41-35(52)54-11)22-25-17-19-26(20-18-25)31-42-45-47(43-31)38(7,8)9/h12-20,27-30,48H,21-23H2,1-11H3,(H,39,49)(H,40,51)(H,41,52)(H,44,50)/t27-,28-,29+,30+/m0/s1

InChIKey

RXWRDDXNHGYOJF-VZNYXHRGSA-N

Smiles

CC(C)(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