2-[7-[(4-carbamimidoylphenyl)methylcarbamoyl]-3-oxidanylidene-2-(2-thiophen-2-ylethyl)-4,5-dihydro-1H-2-benzazepin-4-yl]ethanoic acid

Systemtic Name: 2-[7-[(4-carbamimidoylphenyl)methylcarbamoyl]-3-oxidanylidene-2-(2-thiophen-2-ylethyl)-4,5-dihydro-1H-2-benzazepin-4-yl]ethanoic acid Openeye Name: 2-[7-[(4-carbamimidoylphenyl)methylcarbamoyl]-3-oxo-2-[2-(2-thienyl)ethyl]-4,5-dihydro-1H-2-benzazepin-4-yl]acetic acid CAS Name: 2-[7-[[(4-carbamimidoylphenyl)methylamino]-oxomethyl]-3-oxo-2-(2-thiophen-2-ylethyl)-4,5-dihydro-1H-2-benzazepin-4-yl]acetic acid IUPAC Name: 2-[7-[(4-carbamimidoylphenyl)methylcarbamoyl]-3-oxo-2-(2-thiophen-2-ylethyl)-4,5-dihydro-1H-2-benzazepin-4-yl]acetic acid Traditional Name: 2-[7-[(4-amidinobenzyl)carbamoyl]-3-keto-2-[2-(2-thienyl)ethyl]-4,5-dihydro-1H-2-benzazepin-4-yl]acetic acid Formula: C27H28N4O4S MolecularWeight: 504.60062

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(=O)N(CC2=C1C=C(C=C2)C(=O)NCC3=CC=C(C=C3)C(=N)N)CCC4=CC=CS4)CC(=O)O

Isomeric SMILES

C1C(C(=O)N(CC2=C1C=C(C=C2)C(=O)NCC3=CC=C(C=C3)C(=N)N)CCC4=CC=CS4)CC(=O)O

InChI

InChI=1S/C27H28N4O4S/c28-25(29)18-5-3-17(4-6-18)15-30-26(34)19-7-8-20-16-31(10-9-23-2-1-11-36-23)27(35)22(14-24(32)33)13-21(20)12-19/h1-8,11-12,22H,9-10,13-16H2,(H3,28,29)(H,30,34)(H,32,33)