2-[2-[1-(4-carbamimidoylphenyl)-2-oxidanylidene-pyrrolidin-3-yl]ethanoylamino]-3-(furan-3-yl)propanoic acid

Systemtic Name: 2-[2-[1-(4-carbamimidoylphenyl)-2-oxidanylidene-pyrrolidin-3-yl]ethanoylamino]-3-(furan-3-yl)propanoic acid Openeye Name: 2-[[2-[1-(4-carbamimidoylphenyl)-2-oxo-pyrrolidin-3-yl]acetyl]amino]-3-(3-furyl)propanoic acid CAS Name: 2-[[2-[1-(4-carbamimidoylphenyl)-2-oxo-3-pyrrolidinyl]-1-oxoethyl]amino]-3-(3-furanyl)propanoic acid IUPAC Name: 2-[[2-[1-(4-carbamimidoylphenyl)-2-oxopyrrolidin-3-yl]acetyl]amino]-3-(furan-3-yl)propanoic acid Traditional Name: 2-[[2-[1-(4-amidinophenyl)-2-keto-pyrrolidin-3-yl]acetyl]amino]-3-(3-furyl)propionic acid Formula: C20H22N4O5 MolecularWeight: 398.41248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)C1CC(=O)NC(CC2=COC=C2)C(=O)O)C3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1CN(C(=O)C1CC(=O)NC(CC2=COC=C2)C(=O)O)C3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C20H22N4O5/c21-18(22)13-1-3-15(4-2-13)24-7-5-14(19(24)26)10-17(25)23-16(20(27)28)9-12-6-8-29-11-12/h1-4,6,8,11,14,16H,5,7,9-10H2,(H3,21,22)(H,23,25)(H,27,28)