(4S)-6-(2-chloranyl-4-thiomorpholin-4-ylsulfonyl-phenoxy)-5-oxidanylidene-4-(phenylmethoxycarbonylamino)hexanoic acid

Systemtic Name: (4S)-6-(2-chloranyl-4-thiomorpholin-4-ylsulfonyl-phenoxy)-5-oxidanylidene-4-(phenylmethoxycarbonylamino)hexanoic acid Openeye Name: (4S)-4-(benzyloxycarbonylamino)-6-(2-chloro-4-thiomorpholinosulfonyl-phenoxy)-5-oxo-hexanoic acid CAS Name: (4S)-6-(2-chloro-4-thiomorpholin-4-ylsulfonylphenoxy)-5-oxo-4-(phenylmethoxycarbonylamino)hexanoic acid IUPAC Name: (4S)-6-(2-chloro-4-thiomorpholin-4-ylsulfonylphenoxy)-5-oxo-4-(phenylmethoxycarbonylamino)hexanoic acid Traditional Name: (4S)-4-(benzyloxycarbonylamino)-6-(2-chloro-4-thiomorpholinosulfonyl-phenoxy)-5-keto-hexanoic acid Formula: C24H27ClN2O8S2 MolecularWeight: 571.06278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CSCCN1S(=O)(=O)C2=CC(=C(C=C2)OCC(=O)C(CCC(=O)O)NC(=O)OCC3=CC=CC=C3)Cl

Isomeric SMILES

C1CSCCN1S(=O)(=O)C2=CC(=C(C=C2)OCC(=O)[C@H](CCC(=O)O)NC(=O)OCC3=CC=CC=C3)Cl

InChI

InChI=1S/C24H27ClN2O8S2/c25-19-14-18(37(32,33)27-10-12-36-13-11-27)6-8-22(19)34-16-21(28)20(7-9-23(29)30)26-24(31)35-15-17-4-2-1-3-5-17/h1-6,8,14,20H,7,9-13,15-16H2,(H,26,31)(H,29,30)/t20-/m0/s1