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

Systemtic Name: (3S)-2-[(2S)-2-azanyl-4-methyl-pentanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: (3S)-2-[(2S)-2-amino-4-methyl-pentanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: (3S)-2-[(2S)-2-amino-4-methyl-1-oxopentyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: (3S)-2-[(2S)-2-amino-4-methylpentanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: (3S)-2-[(2S)-2-amino-4-methyl-pentanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C16H22N2O3 MolecularWeight: 290.35748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O3/c1-10(2)7-13(17)15(19)18-9-12-6-4-3-5-11(12)8-14(18)16(20)21/h3-6,10,13-14H,7-9,17H2,1-2H3,(H,20,21)/t13-,14-/m0/s1