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

Systemtic Name: tert-butyl (3S)-3-[[(2S)-1-(cyclohexylamino)-1-oxidanylidene-propan-2-yl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Openeye Name: tert-butyl (3S)-3-[[(1S)-2-(cyclohexylamino)-1-methyl-2-oxo-ethyl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate CAS Name: (3S)-3-[[[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]amino]-oxomethyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-3-[[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylate Traditional Name: (3S)-3-[[(1S)-2-(cyclohexylamino)-2-keto-1-methyl-ethyl]carbamoyl]-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester Formula: C24H35N3O4 MolecularWeight: 429.5524

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCC1)NC(=O)C2CC3=CC=CC=C3CN2C(=O)OC(C)(C)C

Isomeric SMILES

C[C@@H](C(=O)NC1CCCCC1)NC(=O)[C@@H]2CC3=CC=CC=C3CN2C(=O)OC(C)(C)C

InChI

InChI=1S/C24H35N3O4/c1-16(21(28)26-19-12-6-5-7-13-19)25-22(29)20-14-17-10-8-9-11-18(17)15-27(20)23(30)31-24(2,3)4/h8-11,16,19-20H,5-7,12-15H2,1-4H3,(H,25,29)(H,26,28)/t16-,20-/m0/s1