(3S)-2-[2-carboxyethyl(propyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: (3S)-2-[2-carboxyethyl(propyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: (3S)-2-[2-carboxyethyl(propyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: (3S)-2-[[2-carboxyethyl(propyl)amino]-oxomethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: (3S)-2-[2-carboxyethyl(propyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: (3S)-2-[2-carboxyethyl(propyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C17H22N2O5 MolecularWeight: 334.36698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O5/c1-2-8-18(9-7-15(20)21)17(24)19-11-13-6-4-3-5-12(13)10-14(19)16(22)23/h3-6,14H,2,7-11H2,1H3,(H,20,21)(H,22,23)/t14-/m0/s1