(2R)-3-(2-diethylaminoethylcarbamothioylsulfanyl)-3-methyl-2-(2-phenylethanoylamino)butanoic acid

Systemtic Name: (2R)-3-(2-diethylaminoethylcarbamothioylsulfanyl)-3-methyl-2-(2-phenylethanoylamino)butanoic acid Openeye Name: (2R)-3-(2-diethylaminoethylcarbamothioylsulfanyl)-3-methyl-2-[(2-phenylacetyl)amino]butanoic acid CAS Name: (2R)-3-[[(2-diethylaminoethylamino)-sulfanylidenemethyl]thio]-3-methyl-2-[(1-oxo-2-phenylethyl)amino]butanoic acid IUPAC Name: (2R)-3-(2-diethylaminoethylcarbamothioylsulfanyl)-3-methyl-2-[(2-phenylacetyl)amino]butanoic acid Traditional Name: (2R)-3-(2-diethylaminoethylthiocarbamoylthio)-3-methyl-2-[(2-phenylacetyl)amino]butyric acid Formula: C20H31N3O3S2 MolecularWeight: 425.60844

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCNC(=S)SC(C)(C)C(C(=O)O)NC(=O)CC1=CC=CC=C1

Isomeric SMILES

CCN(CC)CCNC(=S)SC(C)(C)[C@@H](C(=O)O)NC(=O)CC1=CC=CC=C1

InChI

InChI=1S/C20H31N3O3S2/c1-5-23(6-2)13-12-21-19(27)28-20(3,4)17(18(25)26)22-16(24)14-15-10-8-7-9-11-15/h7-11,17H,5-6,12-14H2,1-4H3,(H,21,27)(H,22,24)(H,25,26)/t17-/m1/s1