methyl 2-[(2-ethoxy-2-oxidanylidene-ethyl)carbamoylamino]-2-[4-[[(E)-N'-phenylmethoxycarbonylcarbamimidoyl]amino]phenyl]ethanoate

Systemtic Name: methyl 2-[(2-ethoxy-2-oxidanylidene-ethyl)carbamoylamino]-2-[4-[[(E)-N'-phenylmethoxycarbonylcarbamimidoyl]amino]phenyl]ethanoate Openeye Name: methyl 2-[4-[[(E)-N'-benzyloxycarbonylcarbamimidoyl]amino]phenyl]-2-[(2-ethoxy-2-oxo-ethyl)carbamoylamino]acetate CAS Name: 2-[4-[[(E)-amino(phenylmethoxycarbonylimino)methyl]amino]phenyl]-2-[[[(2-ethoxy-2-oxoethyl)amino]-oxomethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[(2-ethoxy-2-oxoethyl)carbamoylamino]-2-[4-[[(E)-N'-phenylmethoxycarbonylcarbamimidoyl]amino]phenyl]acetate Traditional Name: 2-[4-[[(E)-N'-carbobenzoxyamidino]amino]phenyl]-2-[(2-ethoxy-2-keto-ethyl)carbamoylamino]acetic acid methyl ester Formula: C23H27N5O7 MolecularWeight: 485.48978

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=O)NC(C1=CC=C(C=C1)NC(=NC(=O)OCC2=CC=CC=C2)N)C(=O)OC

Isomeric SMILES

CCOC(=O)CNC(=O)NC(C1=CC=C(C=C1)N/C(=N/C(=O)OCC2=CC=CC=C2)/N)C(=O)OC

InChI

InChI=1S/C23H27N5O7/c1-3-34-18(29)13-25-22(31)27-19(20(30)33-2)16-9-11-17(12-10-16)26-21(24)28-23(32)35-14-15-7-5-4-6-8-15/h4-12,19H,3,13-14H2,1-2H3,(H2,25,27,31)(H3,24,26,28,32)