2-[4-[2-[(4-carbamimidoylphenyl)carbonylamino]-3-(4-ethenylphenyl)propanoyl]-3-(2-methoxy-2-oxidanylidene-ethyl)-2-oxidanylidene-piperazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-[2-[(4-carbamimidoylphenyl)carbonylamino]-3-(4-ethenylphenyl)propanoyl]-3-(2-methoxy-2-oxidanylidene-ethyl)-2-oxidanylidene-piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-[2-[(4-carbamimidoylbenzoyl)amino]-3-(4-vinylphenyl)propanoyl]-3-(2-methoxy-2-oxo-ethyl)-2-oxo-piperazin-1-yl]acetic acid CAS Name: 2-[4-[2-[[(4-carbamimidoylphenyl)-oxomethyl]amino]-3-(4-ethenylphenyl)-1-oxopropyl]-3-(2-methoxy-2-oxoethyl)-2-oxo-1-piperazinyl]acetic acid IUPAC Name: 2-[4-[2-[(4-carbamimidoylbenzoyl)amino]-3-(4-ethenylphenyl)propanoyl]-3-(2-methoxy-2-oxoethyl)-2-oxopiperazin-1-yl]acetic acid Traditional Name: 2-[4-[2-[(4-amidinobenzoyl)amino]-3-(4-vinylphenyl)propanoyl]-2-keto-3-(2-keto-2-methoxy-ethyl)piperazino]acetic acid Formula: C28H31N5O7 MolecularWeight: 549.57504

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1C(=O)N(CCN1C(=O)C(CC2=CC=C(C=C2)C=C)NC(=O)C3=CC=C(C=C3)C(=N)N)CC(=O)O

Isomeric SMILES

COC(=O)CC1C(=O)N(CCN1C(=O)C(CC2=CC=C(C=C2)C=C)NC(=O)C3=CC=C(C=C3)C(=N)N)CC(=O)O

InChI

InChI=1S/C28H31N5O7/c1-3-17-4-6-18(7-5-17)14-21(31-26(37)20-10-8-19(9-11-20)25(29)30)27(38)33-13-12-32(16-23(34)35)28(39)22(33)15-24(36)40-2/h3-11,21-22H,1,12-16H2,2H3,(H3,29,30)(H,31,37)(H,34,35)