(2S)-2-[[(E)-3-methoxy-3-oxidanylidene-2-(2-phenylethanoylamino)prop-1-enyl]amino]-3-methyl-3-sulfanyl-butanoic acid

Systemtic Name: (2S)-2-[[(E)-3-methoxy-3-oxidanylidene-2-(2-phenylethanoylamino)prop-1-enyl]amino]-3-methyl-3-sulfanyl-butanoic acid Openeye Name: (2S)-2-[[(E)-3-methoxy-3-oxo-2-[(2-phenylacetyl)amino]prop-1-enyl]amino]-3-methyl-3-sulfanyl-butanoic acid CAS Name: (2S)-3-mercapto-2-[[(E)-3-methoxy-3-oxo-2-[(1-oxo-2-phenylethyl)amino]prop-1-enyl]amino]-3-methylbutanoic acid IUPAC Name: (2S)-2-[[(E)-3-methoxy-3-oxo-2-[(2-phenylacetyl)amino]prop-1-enyl]amino]-3-methyl-3-sulfanylbutanoic acid Traditional Name: (2S)-2-[[(E)-3-keto-3-methoxy-2-[(2-phenylacetyl)amino]prop-1-enyl]amino]-3-mercapto-3-methyl-butyric acid Formula: C17H22N2O5S MolecularWeight: 366.43198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(C(=O)O)NC=C(C(=O)OC)NC(=O)CC1=CC=CC=C1)S

Isomeric SMILES

CC(C)([C@H](C(=O)O)N/C=C(\C(=O)OC)/NC(=O)CC1=CC=CC=C1)S

InChI

InChI=1S/C17H22N2O5S/c1-17(2,25)14(15(21)22)18-10-12(16(23)24-3)19-13(20)9-11-7-5-4-6-8-11/h4-8,10,14,18,25H,9H2,1-3H3,(H,19,20)(H,21,22)/b12-10+/t14-/m0/s1