5-azanyl-2-[[4-[(4-chlorophenyl)carbonylamino]phenyl]sulfonylamino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-azanyl-2-[[4-[(4-chlorophenyl)carbonylamino]phenyl]sulfonylamino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-amino-2-[[4-[(4-chlorobenzoyl)amino]phenyl]sulfonylamino]-5-oxo-pentanoic acid CAS Name: 5-amino-2-[[4-[[(4-chlorophenyl)-oxomethyl]amino]phenyl]sulfonylamino]-5-oxopentanoic acid IUPAC Name: 5-amino-2-[[4-[(4-chlorobenzoyl)amino]phenyl]sulfonylamino]-5-oxopentanoic acid Traditional Name: 5-amino-2-[[4-[(4-chlorobenzoyl)amino]phenyl]sulfonylamino]-5-keto-valeric acid Formula: C18H18ClN3O6S MolecularWeight: 439.87002

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC(CCC(=O)N)C(=O)O)Cl

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC2=CC=C(C=C2)S(=O)(=O)NC(CCC(=O)N)C(=O)O)Cl

InChI

InChI=1S/C18H18ClN3O6S/c19-12-3-1-11(2-4-12)17(24)21-13-5-7-14(8-6-13)29(27,28)22-15(18(25)26)9-10-16(20)23/h1-8,15,22H,9-10H2,(H2,20,23)(H,21,24)(H,25,26)