(2S)-2-[2-[(2S)-2-azanyl-4-methylsulfanyl-butanoyl]sulfanylethanoylamino]-3-phenyl-propanoic acid

Systemtic Name: (2S)-2-[2-[(2S)-2-azanyl-4-methylsulfanyl-butanoyl]sulfanylethanoylamino]-3-phenyl-propanoic acid Openeye Name: (2S)-2-[[2-[(2S)-2-amino-4-methylsulfanyl-butanoyl]sulfanylacetyl]amino]-3-phenyl-propanoic acid CAS Name: (2S)-2-[[2-[[(2S)-2-amino-4-(methylthio)-1-oxobutyl]thio]-1-oxoethyl]amino]-3-phenylpropanoic acid IUPAC Name: (2S)-2-[[2-[(2S)-2-amino-4-methylsulfanylbutanoyl]sulfanylacetyl]amino]-3-phenylpropanoic acid Traditional Name: (2S)-2-[[2-[[(2S)-2-amino-4-(methylthio)butanoyl]thio]acetyl]amino]-3-phenyl-propionic acid Formula: C16H22N2O4S2 MolecularWeight: 370.48688

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)SCC(=O)NC(CC1=CC=CC=C1)C(=O)O)N

Isomeric SMILES

CSCC[C@@H](C(=O)SCC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)O)N

InChI

InChI=1S/C16H22N2O4S2/c1-23-8-7-12(17)16(22)24-10-14(19)18-13(15(20)21)9-11-5-3-2-4-6-11/h2-6,12-13H,7-10,17H2,1H3,(H,18,19)(H,20,21)/t12-,13-/m0/s1