2-[3-[3-[(4-carbamimidoylphenyl)amino]-3-oxidanylidene-propyl]-3-methyl-2-oxidanylidene-piperazin-1-yl]ethanoic acid

Systemtic Name: 2-[3-[3-[(4-carbamimidoylphenyl)amino]-3-oxidanylidene-propyl]-3-methyl-2-oxidanylidene-piperazin-1-yl]ethanoic acid Openeye Name: 2-[3-[3-(4-carbamimidoylanilino)-3-oxo-propyl]-3-methyl-2-oxo-piperazin-1-yl]acetic acid CAS Name: 2-[3-[3-(4-carbamimidoylanilino)-3-oxopropyl]-3-methyl-2-oxo-1-piperazinyl]acetic acid IUPAC Name: 2-[3-[3-(4-carbamimidoylanilino)-3-oxopropyl]-3-methyl-2-oxopiperazin-1-yl]acetic acid Traditional Name: 2-[3-[3-(4-amidinoanilino)-3-keto-propyl]-2-keto-3-methyl-piperazino]acetic acid Formula: C17H23N5O4 MolecularWeight: 361.39562

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)N(CCN1)CC(=O)O)CCC(=O)NC2=CC=C(C=C2)C(=N)N

Isomeric SMILES

CC1(C(=O)N(CCN1)CC(=O)O)CCC(=O)NC2=CC=C(C=C2)C(=N)N

InChI

InChI=1S/C17H23N5O4/c1-17(16(26)22(9-8-20-17)10-14(24)25)7-6-13(23)21-12-4-2-11(3-5-12)15(18)19/h2-5,20H,6-10H2,1H3,(H3,18,19)(H,21,23)(H,24,25)