Phenylmethyl (3S)-2-[(2S)-2-[[(1S)-1-(ethoxycarbonyl)-3-phenylpropyl]amino]-1-oxopropyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-3-isoquinolinecarboxylate

CAS Registry Number®

82637-57-8

CAS Name

Phenylmethyl (3S)-2-[(2S)-2-[[(1S)-1-(ethoxycarbonyl)-3-phenylpropyl]amino]-1-oxopropyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-3-isoquinolinecarboxylate

Molecular Formula

C34H40N2O7

Molecular Mass

588.69

Cite this Page

Phenylmethyl (3S)-2-[(2S)-2-[[(1S)-1-(ethoxycarbonyl)-3-phenylpropyl]amino]-1-oxopropyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-3-isoquinolinecarboxylate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=82637-57-8 (retrieved 2024-11-22) (CAS RN: 82637-57-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C34H40N2O7/c1-5-42-33(38)28(17-16-24-12-8-6-9-13-24)35-23(2)32(37)36-21-27-20-31(41-4)30(40-3)19-26(27)18-29(36)34(39)43-22-25-14-10-7-11-15-25/h6-15,19-20,23,28-29,35H,5,16-18,21-22H2,1-4H3/t23-,28-,29-/m0/s1

InChIKey

InChIKey=JZXQEVNCLGXAGD-OIFPXGRLSA-N

SMILES

C(OCC1=CC=CC=C1)(=O)[C@@H]2CC=3C(CN2C([C@@H](N[C@@H](CCC4=CC=CC=C4)C(OCC)=O)C)=O)=CC(OC)=C(OC)C3

Canonical SMILES

O=C(OCC)C(NC(C(=O)N1CC2=CC(OC)=C(OC)C=C2CC1C(=O)OCC=3C=CC=CC3)C)CCC=4C=CC=CC4

Other Names for this Substance

  • 3-Isoquinolinecarboxylic acid, 2-[(2S)-2-[[(1S)-1-(ethoxycarbonyl)-3-phenylpropyl]amino]-1-oxopropyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-, phenylmethyl ester, (3S)-
  • 3-Isoquinolinecarboxylic acid, 2-[2-[[1-(ethoxycarbonyl)-3-phenylpropyl]amino]-1-oxopropyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-, phenylmethyl ester, [3S-[2[R*(R*)],3R*]]-
  • Phenylmethyl (3S)-2-[(2S)-2-[[(1S)-1-(ethoxycarbonyl)-3-phenylpropyl]amino]-1-oxopropyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-3-isoquinolinecarboxylate

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