5-[5-(4-carbamimidoylphenyl)pent-4-ynylamino]-5-oxidanylidene-4-(phenylmethoxycarbonylamino)pentanoic acid

Systemtic Name: 5-[5-(4-carbamimidoylphenyl)pent-4-ynylamino]-5-oxidanylidene-4-(phenylmethoxycarbonylamino)pentanoic acid Openeye Name: 4-(benzyloxycarbonylamino)-5-[5-(4-carbamimidoylphenyl)pent-4-ynylamino]-5-oxo-pentanoic acid CAS Name: 5-[5-(4-carbamimidoylphenyl)pent-4-ynylamino]-5-oxo-4-(phenylmethoxycarbonylamino)pentanoic acid IUPAC Name: 5-[5-(4-carbamimidoylphenyl)pent-4-ynylamino]-5-oxo-4-(phenylmethoxycarbonylamino)pentanoic acid Traditional Name: 5-[5-(4-amidinophenyl)pent-4-ynylamino]-4-(benzyloxycarbonylamino)-5-keto-valeric acid Formula: C25H28N4O5 MolecularWeight: 464.51362

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC(CCC(=O)O)C(=O)NCCCC#CC2=CC=C(C=C2)C(=N)N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC(CCC(=O)O)C(=O)NCCCC#CC2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C25H28N4O5/c26-23(27)20-12-10-18(11-13-20)7-5-2-6-16-28-24(32)21(14-15-22(30)31)29-25(33)34-17-19-8-3-1-4-9-19/h1,3-4,8-13,21H,2,6,14-17H2,(H3,26,27)(H,28,32)(H,29,33)(H,30,31)