(3S)-2-[2-azanyl-3-(1H-imidazol-5-yl)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: (3S)-2-[2-azanyl-3-(1H-imidazol-5-yl)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: (3S)-2-[2-amino-3-(1H-imidazol-5-yl)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: (3S)-2-[2-amino-3-(1H-imidazol-5-yl)-1-oxopropyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: (3S)-2-[2-amino-3-(1H-imidazol-5-yl)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: (3S)-2-[2-amino-3-(1H-imidazol-5-yl)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C16H18N4O3 MolecularWeight: 314.33912

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)C(=O)C(CC3=CN=CN3)N)C(=O)O

Isomeric SMILES

C1[C@H](N(CC2=CC=CC=C21)C(=O)C(CC3=CN=CN3)N)C(=O)O

InChI

InChI=1S/C16H18N4O3/c17-13(6-12-7-18-9-19-12)15(21)20-8-11-4-2-1-3-10(11)5-14(20)16(22)23/h1-4,7,9,13-14H,5-6,8,17H2,(H,18,19)(H,22,23)/t13?,14-/m0/s1