(2S)-2-[(4-carbamimidoyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-3-(1H-indol-3-yl)propanoic acid

Systemtic Name: (2S)-2-[(4-carbamimidoyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]-3-(1H-indol-3-yl)propanoic acid Openeye Name: (2S)-2-[(4-carbamimidoyl-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]-3-(1H-indol-3-yl)propanoic acid CAS Name: (2S)-2-[(4-carbamimidoyl-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]-3-(1H-indol-3-yl)propanoic acid IUPAC Name: (2S)-2-[(4-carbamimidoyl-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]-3-(1H-indol-3-yl)propanoic acid Traditional Name: (2S)-2-[(4-amidino-6-keto-cyclohexa-2,4-dien-1-ylidene)methylamino]-3-(1H-indol-3-yl)propionic acid Formula: C19H18N4O3 MolecularWeight: 350.37122

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)NC=C3C=CC(=CC3=O)C(=N)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2)C[C@@H](C(=O)O)NC=C3C=CC(=CC3=O)C(=N)N

InChI

InChI=1S/C19H18N4O3/c20-18(21)11-5-6-12(17(24)8-11)9-23-16(19(25)26)7-13-10-22-15-4-2-1-3-14(13)15/h1-6,8-10,16,22-23H,7H2,(H3,20,21)(H,25,26)/t16-/m0/s1