4-azanyl-4-oxidanylidene-2-[(4-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]butanoic acid

Systemtic Name: 4-azanyl-4-oxidanylidene-2-[(4-pyrrolidin-1-ylsulfonylphenyl)carbonylamino]butanoic acid Openeye Name: 4-amino-4-oxo-2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]butanoic acid CAS Name: 4-amino-4-oxo-2-[[oxo-[4-(1-pyrrolidinylsulfonyl)phenyl]methyl]amino]butanoic acid IUPAC Name: 4-amino-4-oxo-2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]butanoic acid Traditional Name: 4-amino-4-keto-2-[(4-pyrrolidinosulfonylbenzoyl)amino]butyric acid Formula: C15H19N3O6S MolecularWeight: 369.39286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC(CC(=O)N)C(=O)O

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC(CC(=O)N)C(=O)O

InChI

InChI=1S/C15H19N3O6S/c16-13(19)9-12(15(21)22)17-14(20)10-3-5-11(6-4-10)25(23,24)18-7-1-2-8-18/h3-6,12H,1-2,7-9H2,(H2,16,19)(H,17,20)(H,21,22)