5-azanyl-2-[(3-chloranyl-4-methyl-phenyl)carbamoylamino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-azanyl-2-[(3-chloranyl-4-methyl-phenyl)carbamoylamino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-amino-2-[(3-chloro-4-methyl-phenyl)carbamoylamino]-5-oxo-pentanoic acid CAS Name: 5-amino-2-[[(3-chloro-4-methylanilino)-oxomethyl]amino]-5-oxopentanoic acid IUPAC Name: 5-amino-2-[(3-chloro-4-methylphenyl)carbamoylamino]-5-oxopentanoic acid Traditional Name: 5-amino-2-[(3-chloro-4-methyl-phenyl)carbamoylamino]-5-keto-valeric acid Formula: C13H16ClN3O4 MolecularWeight: 313.73684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)NC(CCC(=O)N)C(=O)O)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)NC(CCC(=O)N)C(=O)O)Cl

InChI

InChI=1S/C13H16ClN3O4/c1-7-2-3-8(6-9(7)14)16-13(21)17-10(12(19)20)4-5-11(15)18/h2-3,6,10H,4-5H2,1H3,(H2,15,18)(H,19,20)(H2,16,17,21)