ethyl 5-[4-(4-carbamimidoylphenyl)butylamino]-5-oxidanylidene-2-(phenylmethoxycarbonylamino)pentanoate

Systemtic Name: ethyl 5-[4-(4-carbamimidoylphenyl)butylamino]-5-oxidanylidene-2-(phenylmethoxycarbonylamino)pentanoate Openeye Name: ethyl 2-(benzyloxycarbonylamino)-5-[4-(4-carbamimidoylphenyl)butylamino]-5-oxo-pentanoate CAS Name: 5-[4-(4-carbamimidoylphenyl)butylamino]-5-oxo-2-(phenylmethoxycarbonylamino)pentanoic acid ethyl ester IUPAC Name: ethyl 5-[4-(4-carbamimidoylphenyl)butylamino]-5-oxo-2-(phenylmethoxycarbonylamino)pentanoate Traditional Name: 5-[4-(4-amidinophenyl)butylamino]-2-(benzyloxycarbonylamino)-5-keto-valeric acid ethyl ester Formula: C26H34N4O5 MolecularWeight: 482.57196

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCC(=O)NCCCCC1=CC=C(C=C1)C(=N)N)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C(CCC(=O)NCCCCC1=CC=C(C=C1)C(=N)N)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C26H34N4O5/c1-2-34-25(32)22(30-26(33)35-18-20-9-4-3-5-10-20)15-16-23(31)29-17-7-6-8-19-11-13-21(14-12-19)24(27)28/h3-5,9-14,22H,2,6-8,15-18H2,1H3,(H3,27,28)(H,29,31)(H,30,33)