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Substance Name: 2,5,6,10,13-Pentaazatetradecanedioic acid, 12-(1,1-dimethylethyl)-8-hydroxy-6-((4-(2-(1-methyl-1-phenylethyl)-2H-tetrazol-5-yl)phenyl)methyl)-3-(1-methylpropyl)-4,11-dioxo-9-(phenylmethyl)-, dimethyl ester,(3S-(3R*(R*),8R*,9R*,12R*))-
RN: 198904-14-2
InChIKey: PDJUKGDVTQZFML-BIIKVYKSSA-N

Molecular Formula

  • C43-H59-N9-O7

Molecular Weight

  • 813.9951
 
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Names and Synonyms

Synonym

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

Systematic Name

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

Registry Numbers

CAS Registry Number

  • 198904-14-2

System Generated Number

  • 0198904142

Structure Descriptors

InChI

1S/C43H59N9O7/c1-10-28(2)35(45-40(56)58-8)38(54)49-51(26-30-21-23-31(24-22-30)37-47-50-52(48-37)43(6,7)32-19-15-12-16-20-32)27-34(53)33(25-29-17-13-11-14-18-29)44-39(55)36(42(3,4)5)46-41(57)59-9/h11-24,28,33-36,53H,10,25-27H2,1-9H3,(H,44,55)(H,45,56)(H,46,57)(H,49,54)/t28-,33-,34-,35-,36+/m0/s1

InChIKey

PDJUKGDVTQZFML-BIIKVYKSSA-N

Smiles

CC[C@H](C)[C@@H](C(=O)NN(Cc1ccc(cc1)c2nnn(n2)C(C)(C)c3ccccc3)C[C@@H]([C@H](Cc4ccccc4)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)O)NC(=O)OC