ethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[2-(phenylmethoxycarbonylamino)ethylsulfanyl]butanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: ethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[2-(phenylmethoxycarbonylamino)ethylsulfanyl]butanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: ethyl 2-[4-[2-(benzyloxycarbonylamino)ethylsulfanyl]-2-(tert-butoxycarbonylamino)butanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: 2-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-1-oxo-4-[2-(phenylmethoxycarbonylamino)ethylthio]butyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-[2-(phenylmethoxycarbonylamino)ethylsulfanyl]butanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: 2-[4-[2-(benzyloxycarbonylamino)ethylthio]-2-(tert-butoxycarbonylamino)butanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid ethyl ester Formula: C31H41N3O7S MolecularWeight: 599.73814

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC2=CC=CC=C2CN1C(=O)C(CCSCCNC(=O)OCC3=CC=CC=C3)NC(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)C1CC2=CC=CC=C2CN1C(=O)C(CCSCCNC(=O)OCC3=CC=CC=C3)NC(=O)OC(C)(C)C

InChI

InChI=1S/C31H41N3O7S/c1-5-39-28(36)26-19-23-13-9-10-14-24(23)20-34(26)27(35)25(33-30(38)41-31(2,3)4)15-17-42-18-16-32-29(37)40-21-22-11-7-6-8-12-22/h6-14,25-26H,5,15-21H2,1-4H3,(H,32,37)(H,33,38)