2-[[1-[[2-[(4-carbamimidoylphenyl)carbamoyl]cyclopropyl]carbonylamino]pyrrol-3-yl]methyl]butanoate

Systemtic Name: 2-[[1-[[2-[(4-carbamimidoylphenyl)carbamoyl]cyclopropyl]carbonylamino]pyrrol-3-yl]methyl]butanoate Openeye Name: 2-[[1-[[2-[(4-carbamimidoylphenyl)carbamoyl]cyclopropanecarbonyl]amino]pyrrol-3-yl]methyl]butanoate CAS Name: 2-[[1-[[[2-[(4-carbamimidoylanilino)-oxomethyl]cyclopropyl]-oxomethyl]amino]-3-pyrrolyl]methyl]butanoate IUPAC Name: 2-[[1-[[2-[(4-carbamimidoylphenyl)carbamoyl]cyclopropanecarbonyl]amino]pyrrol-3-yl]methyl]butanoate Traditional Name: 2-[[1-[[2-[(4-amidinophenyl)carbamoyl]cyclopropanecarbonyl]amino]pyrrol-3-yl]methyl]butyrate Formula: C21H24N5O4- MolecularWeight: 410.44636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CN(C=C1)NC(=O)C2CC2C(=O)NC3=CC=C(C=C3)C(=N)N)C(=O)[O-]

Isomeric SMILES

CCC(CC1=CN(C=C1)NC(=O)C2CC2C(=O)NC3=CC=C(C=C3)C(=N)N)C(=O)[O-]

InChI

InChI=1S/C21H25N5O4/c1-2-13(21(29)30)9-12-7-8-26(11-12)25-20(28)17-10-16(17)19(27)24-15-5-3-14(4-6-15)18(22)23/h3-8,11,13,16-17H,2,9-10H2,1H3,(H3,22,23)(H,24,27)(H,25,28)(H,29,30)/p-1