2-[2-[(3-azanyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 2-[2-[(3-azanyl-1-oxidanyl-1-oxidanylidene-butan-2-yl)amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-[2-[(2-amino-1-carboxy-propyl)amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-[2-[(3-amino-1-hydroxy-1-oxobutan-2-yl)amino]-1-oxopropyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-[2-[(3-amino-1-hydroxy-1-oxobutan-2-yl)amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-[2-[(2-amino-1-carboxy-propyl)amino]propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C17H23N3O5 MolecularWeight: 349.38162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O5/c1-9(18)14(17(24)25)19-10(2)15(21)20-8-12-6-4-3-5-11(12)7-13(20)16(22)23/h3-6,9-10,13-14,19H,7-8,18H2,1-2H3,(H,22,23)(H,24,25)