2-[[1-[[2-[(4-carbamimidoylphenyl)carbamoyl]cyclopentyl]carbonylamino]indol-3-yl]methyl]butanoate

Systemtic Name: 2-[[1-[[2-[(4-carbamimidoylphenyl)carbamoyl]cyclopentyl]carbonylamino]indol-3-yl]methyl]butanoate Openeye Name: 2-[[1-[[2-[(4-carbamimidoylphenyl)carbamoyl]cyclopentanecarbonyl]amino]indol-3-yl]methyl]butanoate CAS Name: 2-[[1-[[[2-[(4-carbamimidoylanilino)-oxomethyl]cyclopentyl]-oxomethyl]amino]-3-indolyl]methyl]butanoate IUPAC Name: 2-[[1-[[2-[(4-carbamimidoylphenyl)carbamoyl]cyclopentanecarbonyl]amino]indol-3-yl]methyl]butanoate Traditional Name: 2-[[1-[[2-[(4-amidinophenyl)carbamoyl]cyclopentanecarbonyl]amino]indol-3-yl]methyl]butyrate Formula: C27H30N5O4- MolecularWeight: 488.5582

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=CN(C2=CC=CC=C21)NC(=O)C3CCCC3C(=O)NC4=CC=C(C=C4)C(=N)N)C(=O)[O-]

Isomeric SMILES

CCC(CC1=CN(C2=CC=CC=C21)NC(=O)C3CCCC3C(=O)NC4=CC=C(C=C4)C(=N)N)C(=O)[O-]

InChI

InChI=1S/C27H31N5O4/c1-2-16(27(35)36)14-18-15-32(23-9-4-3-6-20(18)23)31-26(34)22-8-5-7-21(22)25(33)30-19-12-10-17(11-13-19)24(28)29/h3-4,6,9-13,15-16,21-22H,2,5,7-8,14H2,1H3,(H3,28,29)(H,30,33)(H,31,34)(H,35,36)/p-1