(2R)-2-[[(2S)-2-(furan-2-ylcarbonylamino)-3-methyl-butanoyl]amino]-3-sulfanyl-propanoic acid

Systemtic Name: (2R)-2-[[(2S)-2-(furan-2-ylcarbonylamino)-3-methyl-butanoyl]amino]-3-sulfanyl-propanoic acid Openeye Name: (2R)-2-[[(2S)-2-(furan-2-carbonylamino)-3-methyl-butanoyl]amino]-3-sulfanyl-propanoic acid CAS Name: (2R)-2-[[(2S)-2-[[2-furanyl(oxo)methyl]amino]-3-methyl-1-oxobutyl]amino]-3-mercaptopropanoic acid IUPAC Name: (2R)-2-[[(2S)-2-(furan-2-carbonylamino)-3-methylbutanoyl]amino]-3-sulfanylpropanoic acid Traditional Name: (2R)-2-[[(2S)-2-(2-furoylamino)-3-methyl-butanoyl]amino]-3-mercapto-propionic acid Formula: C13H18N2O5S MolecularWeight: 314.35742

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CS)C(=O)O)NC(=O)C1=CC=CO1

Isomeric SMILES

CC(C)[C@@H](C(=O)N[C@@H](CS)C(=O)O)NC(=O)C1=CC=CO1

InChI

InChI=1S/C13H18N2O5S/c1-7(2)10(12(17)14-8(6-21)13(18)19)15-11(16)9-4-3-5-20-9/h3-5,7-8,10,21H,6H2,1-2H3,(H,14,17)(H,15,16)(H,18,19)/t8-,10-/m0/s1