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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O3/c1-3-10(2)14(17)15(19)18-9-12-7-5-4-6-11(12)8-13(18)16(20)21/h4-7,10,13-14H,3,8-9,17H2,1-2H3,(H,20,21)/t10-,13-,14-/m0/s1