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

Systemtic Name: (3S)-2-[2-carboxyethyl(cyclopropyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: (3S)-2-[2-carboxyethyl(cyclopropyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: (3S)-2-[[2-carboxyethyl(cyclopropyl)amino]-oxomethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: (3S)-2-[2-carboxyethyl(cyclopropyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: (3S)-2-[2-carboxyethyl(cyclopropyl)carbamoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C17H20N2O5 MolecularWeight: 332.3511

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N(CCC(=O)O)C(=O)N2CC3=CC=CC=C3CC2C(=O)O

Isomeric SMILES

C1CC1N(CCC(=O)O)C(=O)N2CC3=CC=CC=C3C[C@H]2C(=O)O

InChI

InChI=1S/C17H20N2O5/c20-15(21)7-8-18(13-5-6-13)17(24)19-10-12-4-2-1-3-11(12)9-14(19)16(22)23/h1-4,13-14H,5-10H2,(H,20,21)(H,22,23)/t14-/m0/s1