ethyl 2-[[2-[(3,3-dimethyl-2-sulfanyl-butanoyl)amino]-2-methyl-propanoyl]amino]-3-phenylmethoxy-propanoate

Systemtic Name: ethyl 2-[[2-[(3,3-dimethyl-2-sulfanyl-butanoyl)amino]-2-methyl-propanoyl]amino]-3-phenylmethoxy-propanoate Openeye Name: ethyl 3-benzyloxy-2-[[2-[(3,3-dimethyl-2-sulfanyl-butanoyl)amino]-2-methyl-propanoyl]amino]propanoate CAS Name: 2-[[2-[(2-mercapto-3,3-dimethyl-1-oxobutyl)amino]-2-methyl-1-oxopropyl]amino]-3-phenylmethoxypropanoic acid ethyl ester IUPAC Name: ethyl 2-[[2-[(3,3-dimethyl-2-sulfanylbutanoyl)amino]-2-methylpropanoyl]amino]-3-phenylmethoxypropanoate Traditional Name: 3-benzoxy-2-[[2-[(2-mercapto-3,3-dimethyl-butanoyl)amino]-2-methyl-propanoyl]amino]propionic acid ethyl ester Formula: C22H34N2O5S MolecularWeight: 438.58076

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(COCC1=CC=CC=C1)NC(=O)C(C)(C)NC(=O)C(C(C)(C)C)S

Isomeric SMILES

CCOC(=O)C(COCC1=CC=CC=C1)NC(=O)C(C)(C)NC(=O)C(C(C)(C)C)S

InChI

InChI=1S/C22H34N2O5S/c1-7-29-19(26)16(14-28-13-15-11-9-8-10-12-15)23-20(27)22(5,6)24-18(25)17(30)21(2,3)4/h8-12,16-17,30H,7,13-14H2,1-6H3,(H,23,27)(H,24,25)