3-[2-[2-[(4-azanyl-3-chloranyl-phenyl)carbonylamino]propanoylamino]propanoylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 3-[2-[2-[(4-azanyl-3-chloranyl-phenyl)carbonylamino]propanoylamino]propanoylamino]-4-oxidanylidene-butanoic acid Openeye Name: 3-[2-[2-[(4-amino-3-chloro-benzoyl)amino]propanoylamino]propanoylamino]-4-oxo-butanoic acid CAS Name: 3-[[2-[[2-[[(4-amino-3-chlorophenyl)-oxomethyl]amino]-1-oxopropyl]amino]-1-oxopropyl]amino]-4-oxobutanoic acid IUPAC Name: 3-[2-[2-[(4-amino-3-chlorobenzoyl)amino]propanoylamino]propanoylamino]-4-oxobutanoic acid Traditional Name: 3-[2-[2-[(4-amino-3-chloro-benzoyl)amino]propanoylamino]propanoylamino]-4-keto-butyric acid Formula: C17H21ClN4O6 MolecularWeight: 412.82484

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C)C(=O)NC(CC(=O)O)C=O)NC(=O)C1=CC(=C(C=C1)N)Cl

Isomeric SMILES

CC(C(=O)NC(C)C(=O)NC(CC(=O)O)C=O)NC(=O)C1=CC(=C(C=C1)N)Cl

InChI

InChI=1S/C17H21ClN4O6/c1-8(21-17(28)10-3-4-13(19)12(18)5-10)15(26)20-9(2)16(27)22-11(7-23)6-14(24)25/h3-5,7-9,11H,6,19H2,1-2H3,(H,20,26)(H,21,28)(H,22,27)(H,24,25)