(2R)-2-[[2-[(2-methylfuran-3-yl)carbonylamino]-4-sulfanyl-butanoyl]amino]-3-phenyl-propanoic acid

Systemtic Name: (2R)-2-[[2-[(2-methylfuran-3-yl)carbonylamino]-4-sulfanyl-butanoyl]amino]-3-phenyl-propanoic acid Openeye Name: (2R)-2-[[2-[(2-methylfuran-3-carbonyl)amino]-4-sulfanyl-butanoyl]amino]-3-phenyl-propanoic acid CAS Name: (2R)-2-[[4-mercapto-2-[[(2-methyl-3-furanyl)-oxomethyl]amino]-1-oxobutyl]amino]-3-phenylpropanoic acid IUPAC Name: (2R)-2-[[2-[(2-methylfuran-3-carbonyl)amino]-4-sulfanylbutanoyl]amino]-3-phenylpropanoic acid Traditional Name: (2R)-2-[[4-mercapto-2-[(2-methyl-3-furoyl)amino]butanoyl]amino]-3-phenyl-propionic acid Formula: C19H22N2O5S MolecularWeight: 390.45338

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C(=O)NC(CCS)C(=O)NC(CC2=CC=CC=C2)C(=O)O

Isomeric SMILES

CC1=C(C=CO1)C(=O)NC(CCS)C(=O)N[C@H](CC2=CC=CC=C2)C(=O)O

InChI

InChI=1S/C19H22N2O5S/c1-12-14(7-9-26-12)17(22)20-15(8-10-27)18(23)21-16(19(24)25)11-13-5-3-2-4-6-13/h2-7,9,15-16,27H,8,10-11H2,1H3,(H,20,22)(H,21,23)(H,24,25)/t15?,16-/m1/s1