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

Systemtic Name: (2R)-2-[[2-(furan-2-ylcarbonylamino)-4-sulfanyl-butanoyl]amino]-3-phenyl-propanoic acid Openeye Name: (2R)-2-[[2-(furan-2-carbonylamino)-4-sulfanyl-butanoyl]amino]-3-phenyl-propanoic acid CAS Name: (2R)-2-[[2-[[2-furanyl(oxo)methyl]amino]-4-mercapto-1-oxobutyl]amino]-3-phenylpropanoic acid IUPAC Name: (2R)-2-[[2-(furan-2-carbonylamino)-4-sulfanylbutanoyl]amino]-3-phenylpropanoic acid Traditional Name: (2R)-2-[[2-(2-furoylamino)-4-mercapto-butanoyl]amino]-3-phenyl-propionic acid Formula: C18H20N2O5S MolecularWeight: 376.4268

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)NC(=O)C(CCS)NC(=O)C2=CC=CO2

Isomeric SMILES

C1=CC=C(C=C1)C[C@H](C(=O)O)NC(=O)C(CCS)NC(=O)C2=CC=CO2

InChI

InChI=1S/C18H20N2O5S/c21-16(13(8-10-26)19-17(22)15-7-4-9-25-15)20-14(18(23)24)11-12-5-2-1-3-6-12/h1-7,9,13-14,26H,8,10-11H2,(H,19,22)(H,20,21)(H,23,24)/t13?,14-/m1/s1