2-[1-[2-[(4-carbamimidoylphenyl)carbonylamino]ethanoyl]-3-oxidanylidene-piperazin-2-yl]ethanoic acid

Systemtic Name: 2-[1-[2-[(4-carbamimidoylphenyl)carbonylamino]ethanoyl]-3-oxidanylidene-piperazin-2-yl]ethanoic acid Openeye Name: 2-[1-[2-[(4-carbamimidoylbenzoyl)amino]acetyl]-3-oxo-piperazin-2-yl]acetic acid CAS Name: 2-[1-[2-[[(4-carbamimidoylphenyl)-oxomethyl]amino]-1-oxoethyl]-3-oxo-2-piperazinyl]acetic acid IUPAC Name: 2-[1-[2-[(4-carbamimidoylbenzoyl)amino]acetyl]-3-oxopiperazin-2-yl]acetic acid Traditional Name: 2-[1-[2-[(4-amidinobenzoyl)amino]acetyl]-3-keto-piperazin-2-yl]acetic acid Formula: C16H19N5O5 MolecularWeight: 361.35256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C(=O)N1)CC(=O)O)C(=O)CNC(=O)C2=CC=C(C=C2)C(=N)N

Isomeric SMILES

C1CN(C(C(=O)N1)CC(=O)O)C(=O)CNC(=O)C2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C16H19N5O5/c17-14(18)9-1-3-10(4-2-9)15(25)20-8-12(22)21-6-5-19-16(26)11(21)7-13(23)24/h1-4,11H,5-8H2,(H3,17,18)(H,19,26)(H,20,25)(H,23,24)