(2R)-2-[[2-(1-benzothiophen-2-ylcarbonylamino)-4-sulfanyl-butanoyl]amino]-3-phenyl-propanoic acid

Systemtic Name: (2R)-2-[[2-(1-benzothiophen-2-ylcarbonylamino)-4-sulfanyl-butanoyl]amino]-3-phenyl-propanoic acid Openeye Name: (2R)-2-[[2-(benzothiophene-2-carbonylamino)-4-sulfanyl-butanoyl]amino]-3-phenyl-propanoic acid CAS Name: (2R)-2-[[2-[[1-benzothiophen-2-yl(oxo)methyl]amino]-4-mercapto-1-oxobutyl]amino]-3-phenylpropanoic acid IUPAC Name: (2R)-2-[[2-(1-benzothiophene-2-carbonylamino)-4-sulfanylbutanoyl]amino]-3-phenylpropanoic acid Traditional Name: (2R)-2-[[2-(benzothiophene-2-carbonylamino)-4-mercapto-butanoyl]amino]-3-phenyl-propionic acid Formula: C22H22N2O4S2 MolecularWeight: 442.55108

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C(CCS)NC(=O)C2=CC3=CC=CC=C3S2

Isomeric SMILES

C1=CC=C(C=C1)C[C@H](C(=O)O)NC(=O)C(CCS)NC(=O)C2=CC3=CC=CC=C3S2

InChI

InChI=1S/C22H22N2O4S2/c25-20(24-17(22(27)28)12-14-6-2-1-3-7-14)16(10-11-29)23-21(26)19-13-15-8-4-5-9-18(15)30-19/h1-9,13,16-17,29H,10-12H2,(H,23,26)(H,24,25)(H,27,28)/t16?,17-/m1/s1