3-[4-[2-[(4-carbamimidoylphenyl)carbonylamino]ethyl]-2,3-bis(oxidanylidene)piperazin-1-yl]-3-(furan-2-yl)propanoic acid

Systemtic Name: 3-[4-[2-[(4-carbamimidoylphenyl)carbonylamino]ethyl]-2,3-bis(oxidanylidene)piperazin-1-yl]-3-(furan-2-yl)propanoic acid Openeye Name: 3-[4-[2-[(4-carbamimidoylbenzoyl)amino]ethyl]-2,3-dioxo-piperazin-1-yl]-3-(2-furyl)propanoic acid CAS Name: 3-[4-[2-[[(4-carbamimidoylphenyl)-oxomethyl]amino]ethyl]-2,3-dioxo-1-piperazinyl]-3-(2-furanyl)propanoic acid IUPAC Name: 3-[4-[2-[(4-carbamimidoylbenzoyl)amino]ethyl]-2,3-dioxopiperazin-1-yl]-3-(furan-2-yl)propanoic acid Traditional Name: 3-[4-[2-[(4-amidinobenzoyl)amino]ethyl]-2,3-diketo-piperazino]-3-(2-furyl)propionic acid Formula: C21H23N5O6 MolecularWeight: 441.43722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C(=O)N1CCNC(=O)C2=CC=C(C=C2)C(=N)N)C(CC(=O)O)C3=CC=CO3

Isomeric SMILES

C1CN(C(=O)C(=O)N1CCNC(=O)C2=CC=C(C=C2)C(=N)N)C(CC(=O)O)C3=CC=CO3

InChI

InChI=1S/C21H23N5O6/c22-18(23)13-3-5-14(6-4-13)19(29)24-7-8-25-9-10-26(21(31)20(25)30)15(12-17(27)28)16-2-1-11-32-16/h1-6,11,15H,7-10,12H2,(H3,22,23)(H,24,29)(H,27,28)