Phenylmethyl N-[(1S)-1-[[(4-methyl-2-oxo-2H-1-benzopyran-7-yl)amino]carbonyl]-5-[(1-oxopropyl)amino]pentyl]carbamate

CAS Registry Number®

787549-26-2
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CAS Name

Phenylmethyl N-[(1S)-1-[[(4-methyl-2-oxo-2H-1-benzopyran-7-yl)amino]carbonyl]-5-[(1-oxopropyl)amino]pentyl]carbamate

Molecular Formula

C27H31N3O6

Molecular Mass

493.55

Cite this Page

Phenylmethyl N-[(1S)-1-[[(4-methyl-2-oxo-2H-1-benzopyran-7-yl)amino]carbonyl]-5-[(1-oxopropyl)amino]pentyl]carbamate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=787549-26-2 (retrieved 2024-09-07) (CAS RN: 787549-26-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    161 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C27H31N3O6/c1-3-24(31)28-14-8-7-11-22(30-27(34)35-17-19-9-5-4-6-10-19)26(33)29-20-12-13-21-18(2)15-25(32)36-23(21)16-20/h4-6,9-10,12-13,15-16,22H,3,7-8,11,14,17H2,1-2H3,(H,28,31)(H,29,33)(H,30,34)/t22-/m0/s1

InChIKey

InChIKey=BFDGUJKFQRJHJM-QFIPXVFZSA-N

SMILES

CC=1C=2C(=CC(NC([C@@H](NC(OCC3=CC=CC=C3)=O)CCCCNC(CC)=O)=O)=CC2)OC(=O)C1

Canonical SMILES

O=C1OC=2C=C(C=CC2C(=C1)C)NC(=O)C(NC(=O)OCC=3C=CC=CC3)CCCCNC(=O)CC

Other Names for this Substance

  • Carbamic acid, N-[(1S)-1-[[(4-methyl-2-oxo-2H-1-benzopyran-7-yl)amino]carbonyl]-5-[(1-oxopropyl)amino]pentyl]-, phenylmethyl ester
  • Carbamic acid, [(1S)-1-[[(4-methyl-2-oxo-2H-1-benzopyran-7-yl)amino]carbonyl]-5-[(1-oxopropyl)amino]pentyl]-, phenylmethyl ester
  • Phenylmethyl N-[(1S)-1-[[(4-methyl-2-oxo-2H-1-benzopyran-7-yl)amino]carbonyl]-5-[(1-oxopropyl)amino]pentyl]carbamate
  • MOCPAC