2-[(4-carbamimidoylphenyl)carbonylamino]-2-(2,3,4,5-tetrahydro-1H-1-benzazepin-2-yl)ethanoic acid

Systemtic Name: 2-[(4-carbamimidoylphenyl)carbonylamino]-2-(2,3,4,5-tetrahydro-1H-1-benzazepin-2-yl)ethanoic acid Openeye Name: 2-[(4-carbamimidoylbenzoyl)amino]-2-(2,3,4,5-tetrahydro-1H-1-benzazepin-2-yl)acetic acid CAS Name: 2-[[(4-carbamimidoylphenyl)-oxomethyl]amino]-2-(2,3,4,5-tetrahydro-1H-1-benzazepin-2-yl)acetic acid IUPAC Name: 2-[(4-carbamimidoylbenzoyl)amino]-2-(2,3,4,5-tetrahydro-1H-1-benzazepin-2-yl)acetic acid Traditional Name: 2-[(4-amidinobenzoyl)amino]-2-(2,3,4,5-tetrahydro-1H-1-benzazepin-2-yl)acetic acid Formula: C20H22N4O3 MolecularWeight: 366.41368

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC2=CC=CC=C2C1)C(C(=O)O)NC(=O)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1CC(NC2=CC=CC=C2C1)C(C(=O)O)NC(=O)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C20H22N4O3/c21-18(22)13-8-10-14(11-9-13)19(25)24-17(20(26)27)16-7-3-5-12-4-1-2-6-15(12)23-16/h1-2,4,6,8-11,16-17,23H,3,5,7H2,(H3,21,22)(H,24,25)(H,26,27)