1,1-Dimethylethyl (3S)-3-[[(1S)-1-(ethoxycarbonyl)-3-phenylpropyl]amino]-2,3,4,5-tetrahydro-2-oxo-1H-1-benzazepine-1-acetate

CAS Registry Number®

109010-61-9
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CAS Name

1,1-Dimethylethyl (3S)-3-[[(1S)-1-(ethoxycarbonyl)-3-phenylpropyl]amino]-2,3,4,5-tetrahydro-2-oxo-1H-1-benzazepine-1-acetate

Molecular Formula

C28H36N2O5

Molecular Mass

480.60

Cite this Page

1,1-Dimethylethyl (3S)-3-[[(1S)-1-(ethoxycarbonyl)-3-phenylpropyl]amino]-2,3,4,5-tetrahydro-2-oxo-1H-1-benzazepine-1-acetate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=109010-61-9 (retrieved 2024-06-26) (CAS RN: 109010-61-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C28H36N2O5/c1-5-34-27(33)23(17-15-20-11-7-6-8-12-20)29-22-18-16-21-13-9-10-14-24(21)30(26(22)32)19-25(31)35-28(2,3)4/h6-14,22-23,29H,5,15-19H2,1-4H3/t22-,23-/m0/s1

InChIKey

InChIKey=QNLLWVSHZXSUNF-GOTSBHOMSA-N

SMILES

C(C(OC(C)(C)C)=O)N1C=2C(CC[C@H](N[C@@H](CCC3=CC=CC=C3)C(OCC)=O)C1=O)=CC=CC2

Canonical SMILES

O=C(OC(C)(C)C)CN1C(=O)C(NC(C(=O)OCC)CCC=2C=CC=CC2)CCC=3C=CC=CC31

Other Names for this Substance

  • 1H-1-Benzazepine-1-acetic acid, 3-[[(1S)-1-(ethoxycarbonyl)-3-phenylpropyl]amino]-2,3,4,5-tetrahydro-2-oxo-, 1,1-dimethylethyl ester, (3S)-
  • 1H-1-Benzazepine-1-acetic acid, 3-[[1-(ethoxycarbonyl)-3-phenylpropyl]amino]-2,3,4,5-tetrahydro-2-oxo-, 1,1-dimethylethyl ester, [S-(R*,R*)]-
  • 1,1-Dimethylethyl (3S)-3-[[(1S)-1-(ethoxycarbonyl)-3-phenylpropyl]amino]-2,3,4,5-tetrahydro-2-oxo-1H-1-benzazepine-1-acetate

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