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Substance Name: Carbamic acid, (3-amino-1-(((3-(2-(((1,1-dimethylethyl)amino)carbonyl)-1-pyrrolidinyl)-2-hydroxy-1-(phenylmethyl)propyl)amino)carbonyl)-3-oxopropyl)-, phenylmethyl ester, (2S-(1(1R*(R*),2S*),2R*))-
RN: 127749-95-5
InChIKey: AYCYZZNXUWCCBA-ASDGIDEWSA-N

Molecular Formula

  • C31-H43-N5-O6

Molecular Weight

  • 581.7097
 
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Names and Synonyms

Synonyms

  • BzOCAsnPhe(CHOHCH2)ProNH-tBu
  • N-Benzyloxycarbonyl Asn(decarbonylPhe-hydroxyethyl)ProNHtertBu

Systematic Name

  • Carbamic acid, (3-amino-1-(((3-(2-(((1,1-dimethylethyl)amino)carbonyl)-1-pyrrolidinyl)-2-hydroxy-1-(phenylmethyl)propyl)amino)carbonyl)-3-oxopropyl)-, phenylmethyl ester, (2S-(1(1R*(R*),2S*),2R*))-

Registry Numbers

CAS Registry Number

  • 127749-95-5

System Generated Number

  • 0127749955

Structure Descriptors

InChI

1S/C31H43N5O6/c1-31(2,3)35-29(40)25-15-10-16-36(25)19-26(37)23(17-21-11-6-4-7-12-21)33-28(39)24(18-27(32)38)34-30(41)42-20-22-13-8-5-9-14-22/h4-9,11-14,23-26,37H,10,15-20H2,1-3H3,(H2,32,38)(H,33,39)(H,34,41)(H,35,40)/t23-,24-,25-,26+/m0/s1

InChIKey

AYCYZZNXUWCCBA-ASDGIDEWSA-N

Smiles

CC(C)(C)NC(=O)[C@@H]1CCCN1C[C@H]([C@H](Cc2ccccc2)NC(=O)[C@H](CC(=O)N)NC(=O)OCc3ccccc3)O