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Substance Name: Carbamic acid, ((1S,2S)-3-((2S,5'S)-4-((1R)-2-((1,1-dimethylethyl)amino)-2-oxo-1-(phenylmethyl)ethyl)-2,3,4',5'-tetrahydro-2-(2-methylpropyl)-3,4'-dioxo-5'-(phenylmethyl)(2,3'-bi-1H-pyrrol)-5'-yl)-2-hydroxy-1-(phenylmethyl)propyl)-, 1,1-dimethylethyl ester
RN: 173091-96-8
InChIKey: KGZKIRZIJFSCNJ-XSKDOPQLSA-N

Molecular Formula

  • C47-H60-N4-O6

Molecular Weight

  • 777.013
 
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Names and Synonyms

  • Carbamic acid, ((1S,2S)-3-((2S,5'S)-4-((1R)-2-((1,1-dimethylethyl)amino)-2-oxo-1-(phenylmethyl)ethyl)-2,3,4',5'-tetrahydro-2-(2-methylpropyl)-3,4'-dioxo-5'-(phenylmethyl)(2,3'-bi-1H-pyrrol)-5'-yl)-2-hydroxy-1-(phenylmethyl)propyl)-, 1,1-dimethylethyl ester

Registry Numbers

CAS Registry Number

  • 173091-96-8

System Generated Number

  • 0173091968

Structure Descriptors

InChI

1S/C47H60N4O6/c1-31(2)26-47(40(53)36(29-49-47)35(42(55)51-44(3,4)5)24-32-18-12-9-13-19-32)37-30-48-46(41(37)54,27-34-22-16-11-17-23-34)28-39(52)38(25-33-20-14-10-15-21-33)50-43(56)57-45(6,7)8/h9-23,29-31,35,38-39,48-49,52H,24-28H2,1-8H3,(H,50,56)(H,51,55)/t35-,38+,39+,46+,47+/m1/s1

InChIKey

KGZKIRZIJFSCNJ-XSKDOPQLSA-N

Smiles

CC(C)C[C@@]1(C(=O)C(=CN1)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)C3=CN[C@@](C3=O)(Cc4ccccc4)C[C@@H]([C@H](Cc5ccccc5)NC(=O)OC(C)(C)C)O