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

Systemtic Name: 2-[4-[3-[(4-carbamimidoylphenyl)amino]-3-oxidanylidene-propyl]-3,3-dimethyl-2-oxidanylidene-piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-[3-(4-carbamimidoylanilino)-3-oxo-propyl]-3,3-dimethyl-2-oxo-piperazin-1-yl]acetic acid CAS Name: 2-[4-[3-(4-carbamimidoylanilino)-3-oxopropyl]-3,3-dimethyl-2-oxo-1-piperazinyl]acetic acid IUPAC Name: 2-[4-[3-(4-carbamimidoylanilino)-3-oxopropyl]-3,3-dimethyl-2-oxopiperazin-1-yl]acetic acid Traditional Name: 2-[4-[3-(4-amidinoanilino)-3-keto-propyl]-2-keto-3,3-dimethyl-piperazino]acetic acid Formula: C18H25N5O4 MolecularWeight: 375.4222

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)N(CCN1CCC(=O)NC2=CC=C(C=C2)C(=N)N)CC(=O)O)C

Isomeric SMILES

CC1(C(=O)N(CCN1CCC(=O)NC2=CC=C(C=C2)C(=N)N)CC(=O)O)C

InChI

InChI=1S/C18H25N5O4/c1-18(2)17(27)22(11-15(25)26)9-10-23(18)8-7-14(24)21-13-5-3-12(4-6-13)16(19)20/h3-6H,7-11H2,1-2H3,(H3,19,20)(H,21,24)(H,25,26)