ethyl 2-[[2-methyl-2-[(3-methyl-2-sulfanyl-butanoyl)amino]propanoyl]amino]-3-(phenylmethylsulfanyl)propanoate

Systemtic Name: ethyl 2-[[2-methyl-2-[(3-methyl-2-sulfanyl-butanoyl)amino]propanoyl]amino]-3-(phenylmethylsulfanyl)propanoate Openeye Name: ethyl 3-benzylsulfanyl-2-[[2-methyl-2-[(3-methyl-2-sulfanyl-butanoyl)amino]propanoyl]amino]propanoate CAS Name: 2-[[2-[(2-mercapto-3-methyl-1-oxobutyl)amino]-2-methyl-1-oxopropyl]amino]-3-(phenylmethylthio)propanoic acid ethyl ester IUPAC Name: ethyl 3-benzylsulfanyl-2-[[2-methyl-2-[(3-methyl-2-sulfanylbutanoyl)amino]propanoyl]amino]propanoate Traditional Name: 3-(benzylthio)-2-[[2-[(2-mercapto-3-methyl-butanoyl)amino]-2-methyl-propanoyl]amino]propionic acid ethyl ester Formula: C21H32N2O4S2 MolecularWeight: 440.61978

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CSCC1=CC=CC=C1)NC(=O)C(C)(C)NC(=O)C(C(C)C)S

Isomeric SMILES

CCOC(=O)C(CSCC1=CC=CC=C1)NC(=O)C(C)(C)NC(=O)C(C(C)C)S

InChI

InChI=1S/C21H32N2O4S2/c1-6-27-19(25)16(13-29-12-15-10-8-7-9-11-15)22-20(26)21(4,5)23-18(24)17(28)14(2)3/h7-11,14,16-17,28H,6,12-13H2,1-5H3,(H,22,26)(H,23,24)