N2-[(Phenylmethoxy)carbonyl]-L-asparaginyl-(αS,βS)-β-amino-α-hydroxybenzenebutanoyl-N-(1,1-dimethylethyl)-L-prolinamide

CAS Registry Number®

139694-65-8
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CAS Name

N2-[(Phenylmethoxy)carbonyl]-L-asparaginyl-(αS,βS)-β-amino-α-hydroxybenzenebutanoyl-N-(1,1-dimethylethyl)-L-prolinamide

Molecular Formula

C31H41N5O7

Molecular Mass

595.69

Cite this Page

N2-[(Phenylmethoxy)carbonyl]-L-asparaginyl-(αS,βS)-β-amino-α-hydroxybenzenebutanoyl-N-(1,1-dimethylethyl)-L-prolinamide.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=139694-65-8 (retrieved 2024-09-19) (CAS RN: 139694-65-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C31H41N5O7/c1-31(2,3)35-28(40)24-15-10-16-36(24)29(41)26(38)22(17-20-11-6-4-7-12-20)33-27(39)23(18-25(32)37)34-30(42)43-19-21-13-8-5-9-14-21/h4-9,11-14,22-24,26,38H,10,15-19H2,1-3H3,(H2,32,37)(H,33,39)(H,34,42)(H,35,40)/t22-,23-,24-,26-/m0/s1

InChIKey

InChIKey=XCVUOCMQYKSJJR-IGRGDXOOSA-N

SMILES

C([C@H]([C@H](CC1=CC=CC=C1)NC([C@@H](NC(OCC2=CC=CC=C2)=O)CC(N)=O)=O)O)(=O)N3[C@H](C(NC(C)(C)C)=O)CCC3

Canonical SMILES

O=C(OCC=1C=CC=CC1)NC(C(=O)NC(CC=2C=CC=CC2)C(O)C(=O)N3CCCC3C(=O)NC(C)(C)C)CC(=O)N

Other Names for this Substance

  • L-Prolinamide, N2-[(phenylmethoxy)carbonyl]-L-asparaginyl-(αS,βS)-β-amino-α-hydroxybenzenebutanoyl-N-(1,1-dimethylethyl)-
  • L-Prolinamide, N2-[(phenylmethoxy)carbonyl]-L-asparaginyl-(2S,3S)-2-hydroxy-4-phenyl-3-aminobutanoyl-N-(1,1-dimethylethyl)-
  • N2-[(Phenylmethoxy)carbonyl]-L-asparaginyl-(αS,βS)-β-amino-α-hydroxybenzenebutanoyl-N-(1,1-dimethylethyl)-L-prolinamide
  • KNI 102
  • RPI 312