2-oxidanyl-3-[2-(3-oxidanylidene-2-propan-2-yl-1,4-thiazin-4-yl)butanoylamino]-4-phenyl-butanoate

Systemtic Name: 2-oxidanyl-3-[2-(3-oxidanylidene-2-propan-2-yl-1,4-thiazin-4-yl)butanoylamino]-4-phenyl-butanoate Openeye Name: 2-hydroxy-3-[2-(2-isopropyl-3-oxo-1,4-thiazin-4-yl)butanoylamino]-4-phenyl-butanoate CAS Name: 2-hydroxy-3-[[1-oxo-2-(3-oxo-2-propan-2-yl-1,4-thiazin-4-yl)butyl]amino]-4-phenylbutanoate IUPAC Name: 2-hydroxy-3-[2-(3-oxo-2-propan-2-yl-1,4-thiazin-4-yl)butanoylamino]-4-phenylbutanoate Traditional Name: 2-hydroxy-3-[2-(2-isopropyl-3-keto-1,4-thiazin-4-yl)butanoylamino]-4-phenyl-butyrate Formula: C21H27N2O5S- MolecularWeight: 419.51448

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC(CC1=CC=CC=C1)C(C(=O)[O-])O)N2C=CSC(C2=O)C(C)C

Isomeric SMILES

CCC(C(=O)NC(CC1=CC=CC=C1)C(C(=O)[O-])O)N2C=CSC(C2=O)C(C)C

InChI

InChI=1S/C21H28N2O5S/c1-4-16(23-10-11-29-18(13(2)3)20(23)26)19(25)22-15(17(24)21(27)28)12-14-8-6-5-7-9-14/h5-11,13,15-18,24H,4,12H2,1-3H3,(H,22,25)(H,27,28)/p-1