tert-butyl (3S)-3-[[(2S)-3-methyl-1-oxidanylidene-1-(propylamino)butan-2-yl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate

Systemtic Name: tert-butyl (3S)-3-[[(2S)-3-methyl-1-oxidanylidene-1-(propylamino)butan-2-yl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl (3S)-3-[[(1S)-2-methyl-1-(propylcarbamoyl)propyl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: (3S)-3-[[[(2S)-3-methyl-1-oxo-1-(propylamino)butan-2-yl]amino]-oxomethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-3-[[(2S)-3-methyl-1-oxo-1-(propylamino)butan-2-yl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: (3S)-3-[[(1S)-2-methyl-1-(propylcarbamoyl)propyl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C23H35N3O4 MolecularWeight: 417.5417

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C(C(C)C)NC(=O)C1CC2=CC=CC=C2CN1C(=O)OC(C)(C)C

Isomeric SMILES

CCCNC(=O)[C@H](C(C)C)NC(=O)[C@@H]1CC2=CC=CC=C2CN1C(=O)OC(C)(C)C

InChI

InChI=1S/C23H35N3O4/c1-7-12-24-21(28)19(15(2)3)25-20(27)18-13-16-10-8-9-11-17(16)14-26(18)22(29)30-23(4,5)6/h8-11,15,18-19H,7,12-14H2,1-6H3,(H,24,28)(H,25,27)/t18-,19-/m0/s1