2-[3-(2-azanylethanoyl)-4-(4-carbamimidoylphenyl)carbonyl-3-(2-methoxy-2-oxidanylidene-ethyl)-2-oxidanylidene-piperazin-1-yl]ethanoic acid

Systemtic Name: 2-[3-(2-azanylethanoyl)-4-(4-carbamimidoylphenyl)carbonyl-3-(2-methoxy-2-oxidanylidene-ethyl)-2-oxidanylidene-piperazin-1-yl]ethanoic acid Openeye Name: 2-[3-(2-aminoacetyl)-4-(4-carbamimidoylbenzoyl)-3-(2-methoxy-2-oxo-ethyl)-2-oxo-piperazin-1-yl]acetic acid CAS Name: 2-[3-(2-amino-1-oxoethyl)-4-[(4-carbamimidoylphenyl)-oxomethyl]-3-(2-methoxy-2-oxoethyl)-2-oxo-1-piperazinyl]acetic acid IUPAC Name: 2-[3-(2-aminoacetyl)-4-(4-carbamimidoylbenzoyl)-3-(2-methoxy-2-oxoethyl)-2-oxopiperazin-1-yl]acetic acid Traditional Name: 2-[4-(4-amidinobenzoyl)-3-glycyl-2-keto-3-(2-keto-2-methoxy-ethyl)piperazino]acetic acid Formula: C19H23N5O7 MolecularWeight: 433.41522

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1(C(=O)N(CCN1C(=O)C2=CC=C(C=C2)C(=N)N)CC(=O)O)C(=O)CN

Isomeric SMILES

COC(=O)CC1(C(=O)N(CCN1C(=O)C2=CC=C(C=C2)C(=N)N)CC(=O)O)C(=O)CN

InChI

InChI=1S/C19H23N5O7/c1-31-15(28)8-19(13(25)9-20)18(30)23(10-14(26)27)6-7-24(19)17(29)12-4-2-11(3-5-12)16(21)22/h2-5H,6-10,20H2,1H3,(H3,21,22)(H,26,27)