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

Systemtic Name: 4-azanyl-2-[[2-chloranyl-4-[(3-hydroxyphenyl)methylcarbamoyl]phenyl]carbonylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-amino-2-[[2-chloro-4-[(3-hydroxyphenyl)methylcarbamoyl]benzoyl]amino]-4-oxo-butanoic acid CAS Name: 4-amino-2-[[[2-chloro-4-[[(3-hydroxyphenyl)methylamino]-oxomethyl]phenyl]-oxomethyl]amino]-4-oxobutanoic acid IUPAC Name: 4-amino-2-[[2-chloro-4-[(3-hydroxyphenyl)methylcarbamoyl]benzoyl]amino]-4-oxobutanoic acid Traditional Name: 4-amino-2-[[2-chloro-4-[(3-hydroxybenzyl)carbamoyl]benzoyl]amino]-4-keto-butyric acid Formula: C19H18ClN3O6 MolecularWeight: 419.81572

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)O)CNC(=O)C2=CC(=C(C=C2)C(=O)NC(CC(=O)N)C(=O)O)Cl

Isomeric SMILES

C1=CC(=CC(=C1)O)CNC(=O)C2=CC(=C(C=C2)C(=O)NC(CC(=O)N)C(=O)O)Cl

InChI

InChI=1S/C19H18ClN3O6/c20-14-7-11(17(26)22-9-10-2-1-3-12(24)6-10)4-5-13(14)18(27)23-15(19(28)29)8-16(21)25/h1-7,15,24H,8-9H2,(H2,21,25)(H,22,26)(H,23,27)(H,28,29)