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

Systemtic Name: (2R)-3-phenyl-2-[[2-(pyrazin-2-ylcarbonylamino)-4-sulfanyl-butanoyl]amino]propanoic acid Openeye Name: (2R)-3-phenyl-2-[[2-(pyrazine-2-carbonylamino)-4-sulfanyl-butanoyl]amino]propanoic acid CAS Name: (2R)-2-[[4-mercapto-1-oxo-2-[[oxo(2-pyrazinyl)methyl]amino]butyl]amino]-3-phenylpropanoic acid IUPAC Name: (2R)-3-phenyl-2-[[2-(pyrazine-2-carbonylamino)-4-sulfanylbutanoyl]amino]propanoic acid Traditional Name: (2R)-2-[[4-mercapto-2-(pyrazinoylamino)butanoyl]amino]-3-phenyl-propionic acid Formula: C18H20N4O4S MolecularWeight: 388.4408

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=NC=CN=C2

Isomeric SMILES

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

InChI

InChI=1S/C18H20N4O4S/c23-16(22-14(18(25)26)10-12-4-2-1-3-5-12)13(6-9-27)21-17(24)15-11-19-7-8-20-15/h1-5,7-8,11,13-14,27H,6,9-10H2,(H,21,24)(H,22,23)(H,25,26)/t13?,14-/m1/s1