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2-azanyl-3-[(4-carbamimidoylphenyl)amino]-2-methyl-4,7-bis(oxidanylidene)-3-phenyl-heptanoic acid

2-azanyl-3-[(4-carbamimidoylphenyl)amino]-2-methyl-4,7-bis(oxidanylidene)-3-phenyl-heptanoic acid

Systemtic Name:2-azanyl-3-[(4-carbamimidoylphenyl)amino]-2-methyl-4,7-bis(oxidanylidene)-3-phenyl-heptanoic acid
Openeye Name:2-amino-3-(4-carbamimidoylanilino)-2-methyl-4,7-dioxo-3-phenyl-heptanoic acid
CAS Name:2-amino-3-(4-carbamimidoylanilino)-2-methyl-4,7-dioxo-3-phenylheptanoic acid
IUPAC Name:2-amino-3-(4-carbamimidoylanilino)-2-methyl-4,7-dioxo-3-phenylheptanoic acid
Traditional Name:3-(4-amidinoanilino)-2-amino-4,7-diketo-2-methyl-3-phenyl-enanthic acid
Formula: C21H24N4O4
MolecularWeight: 396.43966
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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)(C(C1=CC=CC=C1)(C(=O)CCC=O)NC2=CC=C(C=C2)C(=N)N)N


Isomeric SMILES

CC(C(=O)O)(C(C1=CC=CC=C1)(C(=O)CCC=O)NC2=CC=C(C=C2)C(=N)N)N


InChI

InChI=1S/C21H24N4O4/c1-20(24,19(28)29)21(17(27)8-5-13-26,15-6-3-2-4-7-15)25-16-11-9-14(10-12-16)18(22)23/h2-4,6-7,9-13,25H,5,8,24H2,1H3,(H3,22,23)(H,28,29)


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