2-[4-[2-[(4-carbamimidoylphenyl)carbonylamino]ethanoyl]-3-methoxycarbonyl-2-oxidanylidene-piperazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-[2-[(4-carbamimidoylphenyl)carbonylamino]ethanoyl]-3-methoxycarbonyl-2-oxidanylidene-piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-[2-[(4-carbamimidoylbenzoyl)amino]acetyl]-3-methoxycarbonyl-2-oxo-piperazin-1-yl]acetic acid CAS Name: 2-[4-[2-[[(4-carbamimidoylphenyl)-oxomethyl]amino]-1-oxoethyl]-3-methoxycarbonyl-2-oxo-1-piperazinyl]acetic acid IUPAC Name: 2-[4-[2-[(4-carbamimidoylbenzoyl)amino]acetyl]-3-methoxycarbonyl-2-oxopiperazin-1-yl]acetic acid Traditional Name: 2-[4-[2-[(4-amidinobenzoyl)amino]acetyl]-3-carbomethoxy-2-keto-piperazino]acetic acid Formula: C18H21N5O7 MolecularWeight: 419.38864

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(=O)N(CCN1C(=O)CNC(=O)C2=CC=C(C=C2)C(=N)N)CC(=O)O

Isomeric SMILES

COC(=O)C1C(=O)N(CCN1C(=O)CNC(=O)C2=CC=C(C=C2)C(=N)N)CC(=O)O

InChI

InChI=1S/C18H21N5O7/c1-30-18(29)14-17(28)22(9-13(25)26)6-7-23(14)12(24)8-21-16(27)11-4-2-10(3-5-11)15(19)20/h2-5,14H,6-9H2,1H3,(H3,19,20)(H,21,27)(H,25,26)