N-[[2-(6-Benzofuranylcarbonyl)-5,7-dichloro-1,2,3,4-tetrahydro-6-isoquinolinyl]carbonyl]-3-(methylsulfonyl)-L-phenylalanine phenylmethyl ester

CAS Registry Number®

1194550-67-8
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CAS Name

N-[[2-(6-Benzofuranylcarbonyl)-5,7-dichloro-1,2,3,4-tetrahydro-6-isoquinolinyl]carbonyl]-3-(methylsulfonyl)-L-phenylalanine phenylmethyl ester

Molecular Formula

C36H30Cl2N2O7S

Molecular Mass

705.60

Cite this Page

N-[[2-(6-Benzofuranylcarbonyl)-5,7-dichloro-1,2,3,4-tetrahydro-6-isoquinolinyl]carbonyl]-3-(methylsulfonyl)-L-phenylalanine phenylmethyl ester.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1194550-67-8 (retrieved 2024-08-27) (CAS RN: 1194550-67-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C36H30Cl2N2O7S/c1-48(44,45)27-9-5-8-23(16-27)17-30(36(43)47-21-22-6-3-2-4-7-22)39-34(41)32-29(37)18-26-20-40(14-12-28(26)33(32)38)35(42)25-11-10-24-13-15-46-31(24)19-25/h2-11,13,15-16,18-19,30H,12,14,17,20-21H2,1H3,(H,39,41)/t30-/m0/s1

InChIKey

InChIKey=CWMBPRWSUXTRTQ-PMERELPUSA-N

SMILES

ClC1=C2C(CN(C(=O)C=3C=C4C(=CC3)C=CO4)CC2)=CC(Cl)=C1C(N[C@@H](CC5=CC(S(C)(=O)=O)=CC=C5)C(OCC6=CC=CC=C6)=O)=O

Canonical SMILES

O=C(OCC=1C=CC=CC1)C(NC(=O)C2=C(Cl)C=C3C(=C2Cl)CCN(C(=O)C=4C=CC=5C=COC5C4)C3)CC6=CC=CC(=C6)S(=O)(=O)C

Other Names for this Substance

  • L-Phenylalanine, N-[[2-(6-benzofuranylcarbonyl)-5,7-dichloro-1,2,3,4-tetrahydro-6-isoquinolinyl]carbonyl]-3-(methylsulfonyl)-, phenylmethyl ester
  • N-[[2-(6-Benzofuranylcarbonyl)-5,7-dichloro-1,2,3,4-tetrahydro-6-isoquinolinyl]carbonyl]-3-(methylsulfonyl)-L-phenylalanine phenylmethyl ester
  • Benzyl (S)-2-[[[2-[(benzofuran-6-yl)carbonyl]-5,7-dichloro-1,2,3,4-tetrahydroisoquinolin-6-yl]carbonyl]amino]-3-[3-(methylsulfonyl)phenyl]propanoate