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

Systemtic Name: 2-[3-(2-azanylethanoyl)-3-(2-azanyl-2-oxidanylidene-ethyl)-4-(4-carbamimidoylphenyl)carbonyl-2-oxidanylidene-piperazin-1-yl]ethanoic acid Openeye Name: 2-[3-(2-aminoacetyl)-3-(2-amino-2-oxo-ethyl)-4-(4-carbamimidoylbenzoyl)-2-oxo-piperazin-1-yl]acetic acid CAS Name: 2-[3-(2-amino-1-oxoethyl)-3-(2-amino-2-oxoethyl)-4-[(4-carbamimidoylphenyl)-oxomethyl]-2-oxo-1-piperazinyl]acetic acid IUPAC Name: 2-[3-(2-aminoacetyl)-3-(2-amino-2-oxoethyl)-4-(4-carbamimidoylbenzoyl)-2-oxopiperazin-1-yl]acetic acid Traditional Name: 2-[4-(4-amidinobenzoyl)-3-(2-amino-2-keto-ethyl)-3-glycyl-2-keto-piperazino]acetic acid Formula: C18H22N6O6 MolecularWeight: 418.40388

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C(=O)N1CC(=O)O)(CC(=O)N)C(=O)CN)C(=O)C2=CC=C(C=C2)C(=N)N

Isomeric SMILES

C1CN(C(C(=O)N1CC(=O)O)(CC(=O)N)C(=O)CN)C(=O)C2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C18H22N6O6/c19-8-12(25)18(7-13(20)26)17(30)23(9-14(27)28)5-6-24(18)16(29)11-3-1-10(2-4-11)15(21)22/h1-4H,5-9,19H2,(H2,20,26)(H3,21,22)(H,27,28)