(2R)-3-[2-(4-azanylbutanoylamino)ethanoylamino]-2-(phenylsulfonylamino)propanoic acid

Systemtic Name: (2R)-3-[2-(4-azanylbutanoylamino)ethanoylamino]-2-(phenylsulfonylamino)propanoic acid Openeye Name: (2R)-3-[[2-(4-aminobutanoylamino)acetyl]amino]-2-(benzenesulfonamido)propanoic acid CAS Name: (2R)-3-[[2-[(4-amino-1-oxobutyl)amino]-1-oxoethyl]amino]-2-(benzenesulfonamido)propanoic acid IUPAC Name: (2R)-3-[[2-(4-aminobutanoylamino)acetyl]amino]-2-(benzenesulfonamido)propanoic acid Traditional Name: (2R)-3-[[2-(4-aminobutanoylamino)acetyl]amino]-2-(benzenesulfonamido)propionic acid Formula: C15H22N4O6S MolecularWeight: 386.42338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)NC(CNC(=O)CNC(=O)CCCN)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)N[C@H](CNC(=O)CNC(=O)CCCN)C(=O)O

InChI

InChI=1S/C15H22N4O6S/c16-8-4-7-13(20)18-10-14(21)17-9-12(15(22)23)19-26(24,25)11-5-2-1-3-6-11/h1-3,5-6,12,19H,4,7-10,16H2,(H,17,21)(H,18,20)(H,22,23)/t12-/m1/s1