methyl (3S)-2-[(2S)-2-azanyl-4-methyl-pentanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: methyl (3S)-2-[(2S)-2-azanyl-4-methyl-pentanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl (3S)-2-[(2S)-2-amino-4-methyl-pentanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3S)-2-[(2S)-2-amino-4-methyl-1-oxopentyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (3S)-2-[(2S)-2-amino-4-methylpentanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3S)-2-[(2S)-2-amino-4-methyl-pentanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C17H24N2O3 MolecularWeight: 304.38406

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)N1CC2=CC=CC=C2CC1C(=O)OC)N

Isomeric SMILES

CC(C)C[C@@H](C(=O)N1CC2=CC=CC=C2C[C@H]1C(=O)OC)N

InChI

InChI=1S/C17H24N2O3/c1-11(2)8-14(18)16(20)19-10-13-7-5-4-6-12(13)9-15(19)17(21)22-3/h4-7,11,14-15H,8-10,18H2,1-3H3/t14-,15-/m0/s1