(2R)-4-ethylsulfanyl-2-[[(2R)-2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]butanoic acid

Systemtic Name: (2R)-4-ethylsulfanyl-2-[[(2R)-2-(phenylmethyl)-3-sulfanyl-propanoyl]amino]butanoic acid Openeye Name: (2R)-2-[[(2R)-2-benzyl-3-sulfanyl-propanoyl]amino]-4-ethylsulfanyl-butanoic acid CAS Name: (2R)-4-(ethylthio)-2-[[(2R)-2-(mercaptomethyl)-1-oxo-3-phenylpropyl]amino]butanoic acid IUPAC Name: (2R)-2-[[(2R)-2-benzyl-3-sulfanylpropanoyl]amino]-4-ethylsulfanylbutanoic acid Traditional Name: (2R)-2-[[(2R)-2-benzyl-3-mercapto-propanoyl]amino]-4-(ethylthio)butyric acid Formula: C16H23NO3S2 MolecularWeight: 341.48872

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCC(C(=O)O)NC(=O)C(CC1=CC=CC=C1)CS

Isomeric SMILES

CCSCC[C@H](C(=O)O)NC(=O)[C@@H](CC1=CC=CC=C1)CS

InChI

InChI=1S/C16H23NO3S2/c1-2-22-9-8-14(16(19)20)17-15(18)13(11-21)10-12-6-4-3-5-7-12/h3-7,13-14,21H,2,8-11H2,1H3,(H,17,18)(H,19,20)/t13-,14+/m0/s1