methyl 2-[[2-[(2-formamido-4-methylsulfanyl-butanethioyl)amino]-3-methyl-pentanoyl]amino]-3-phenyl-propanoate

Systemtic Name: methyl 2-[[2-[(2-formamido-4-methylsulfanyl-butanethioyl)amino]-3-methyl-pentanoyl]amino]-3-phenyl-propanoate Openeye Name: methyl 2-[[2-[(2-formamido-4-methylsulfanyl-butanethioyl)amino]-3-methyl-pentanoyl]amino]-3-phenyl-propanoate CAS Name: 2-[[2-[[2-formamido-4-(methylthio)-1-sulfanylidenebutyl]amino]-3-methyl-1-oxopentyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-[[2-[(2-formamido-4-methylsulfanylbutanethioyl)amino]-3-methylpentanoyl]amino]-3-phenylpropanoate Traditional Name: 2-[[2-[[2-formamido-4-(methylthio)butanethioyl]amino]-3-methyl-pentanoyl]amino]-3-phenyl-propionic acid methyl ester Formula: C22H33N3O4S2 MolecularWeight: 467.64512

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CC1=CC=CC=C1)C(=O)OC)NC(=S)C(CCSC)NC=O

Isomeric SMILES

CCC(C)C(C(=O)NC(CC1=CC=CC=C1)C(=O)OC)NC(=S)C(CCSC)NC=O

InChI

InChI=1S/C22H33N3O4S2/c1-5-15(2)19(25-21(30)17(23-14-26)11-12-31-4)20(27)24-18(22(28)29-3)13-16-9-7-6-8-10-16/h6-10,14-15,17-19H,5,11-13H2,1-4H3,(H,23,26)(H,24,27)(H,25,30)