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

Systemtic Name: (2R)-2-[[2-(furan-3-ylcarbonylamino)-4-sulfanyl-butanoyl]amino]-3-phenyl-propanoic acid Openeye Name: (2R)-2-[[2-(furan-3-carbonylamino)-4-sulfanyl-butanoyl]amino]-3-phenyl-propanoic acid CAS Name: (2R)-2-[[2-[[3-furanyl(oxo)methyl]amino]-4-mercapto-1-oxobutyl]amino]-3-phenylpropanoic acid IUPAC Name: (2R)-2-[[2-(furan-3-carbonylamino)-4-sulfanylbutanoyl]amino]-3-phenylpropanoic acid Traditional Name: (2R)-2-[[2-(3-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=COC=C2

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O5S/c21-16(13-6-8-25-11-13)19-14(7-9-26)17(22)20-15(18(23)24)10-12-4-2-1-3-5-12/h1-6,8,11,14-15,26H,7,9-10H2,(H,19,21)(H,20,22)(H,23,24)/t14?,15-/m1/s1