cyclopentyl 2-[[4-[(4-carbamimidoylphenyl)amino]-4-oxidanylidene-butanoyl]amino]-4-oxidanylidene-4-(phenethylamino)butanoate

Systemtic Name: cyclopentyl 2-[[4-[(4-carbamimidoylphenyl)amino]-4-oxidanylidene-butanoyl]amino]-4-oxidanylidene-4-(phenethylamino)butanoate Openeye Name: cyclopentyl 2-[[4-(4-carbamimidoylanilino)-4-oxo-butanoyl]amino]-4-oxo-4-(phenethylamino)butanoate CAS Name: 2-[[4-(4-carbamimidoylanilino)-1,4-dioxobutyl]amino]-4-oxo-4-(phenethylamino)butanoic acid cyclopentyl ester IUPAC Name: cyclopentyl 2-[[4-(4-carbamimidoylanilino)-4-oxobutanoyl]amino]-4-oxo-4-(phenethylamino)butanoate Traditional Name: 2-[[4-(4-amidinoanilino)-4-keto-butanoyl]amino]-4-keto-4-(phenethylamino)butyric acid cyclopentyl ester Formula: C28H35N5O5 MolecularWeight: 521.608

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)OC(=O)C(CC(=O)NCCC2=CC=CC=C2)NC(=O)CCC(=O)NC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

C1CCC(C1)OC(=O)C(CC(=O)NCCC2=CC=CC=C2)NC(=O)CCC(=O)NC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C28H35N5O5/c29-27(30)20-10-12-21(13-11-20)32-24(34)14-15-25(35)33-23(28(37)38-22-8-4-5-9-22)18-26(36)31-17-16-19-6-2-1-3-7-19/h1-3,6-7,10-13,22-23H,4-5,8-9,14-18H2,(H3,29,30)(H,31,36)(H,32,34)(H,33,35)