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

Systemtic Name: (3S)-2-[(2S)-2-azanyl-3-(1H-indol-2-yl)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: (3S)-2-[(2S)-2-amino-3-(1H-indol-2-yl)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: (3S)-2-[(2S)-2-amino-3-(1H-indol-2-yl)-1-oxopropyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: (3S)-2-[(2S)-2-amino-3-(1H-indol-2-yl)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: (3S)-2-[(2S)-2-amino-3-(1H-indol-2-yl)propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C21H21N3O3 MolecularWeight: 363.40974

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)C(=O)C(CC3=CC4=CC=CC=C4N3)N)C(=O)O

Isomeric SMILES

C1[C@H](N(CC2=CC=CC=C21)C(=O)[C@H](CC3=CC4=CC=CC=C4N3)N)C(=O)O

InChI

InChI=1S/C21H21N3O3/c22-17(11-16-9-14-6-3-4-8-18(14)23-16)20(25)24-12-15-7-2-1-5-13(15)10-19(24)21(26)27/h1-9,17,19,23H,10-12,22H2,(H,26,27)/t17-,19-/m0/s1