tert-butyl 3-[[(2S)-1-oxidanylidene-1-phenylazanyl-6-(phenylmethoxycarbonylamino)hexan-2-yl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl 3-[[(2S)-1-oxidanylidene-1-phenylazanyl-6-(phenylmethoxycarbonylamino)hexan-2-yl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl 3-[[(1S)-5-(benzyloxycarbonylamino)-1-(phenylcarbamoyl)pentyl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: 3-[[[(2S)-1-anilino-1-oxo-6-(phenylmethoxycarbonylamino)hexan-2-yl]amino]-oxomethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[[(2S)-1-anilino-1-oxo-6-(phenylmethoxycarbonylamino)hexan-2-yl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: 3-[[(1S)-5-(benzyloxycarbonylamino)-1-(phenylcarbamoyl)pentyl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C35H42N4O6 MolecularWeight: 614.73118

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2=CC=CC=C2CC1C(=O)NC(CCCCNC(=O)OCC3=CC=CC=C3)C(=O)NC4=CC=CC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1CC2=CC=CC=C2CC1C(=O)N[C@@H](CCCCNC(=O)OCC3=CC=CC=C3)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C35H42N4O6/c1-35(2,3)45-34(43)39-23-27-17-11-10-16-26(27)22-30(39)32(41)38-29(31(40)37-28-18-8-5-9-19-28)20-12-13-21-36-33(42)44-24-25-14-6-4-7-15-25/h4-11,14-19,29-30H,12-13,20-24H2,1-3H3,(H,36,42)(H,37,40)(H,38,41)/t29-,30?/m0/s1