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

Systemtic Name: ethyl 2-[[2-ethyl-2-[(3-methyl-2-sulfanyl-butanoyl)amino]butanoyl]amino]-3-phenylmethoxy-propanoate Openeye Name: ethyl 3-benzyloxy-2-[[2-ethyl-2-[(3-methyl-2-sulfanyl-butanoyl)amino]butanoyl]amino]propanoate CAS Name: 2-[[2-ethyl-2-[(2-mercapto-3-methyl-1-oxobutyl)amino]-1-oxobutyl]amino]-3-phenylmethoxypropanoic acid ethyl ester IUPAC Name: ethyl 2-[[2-ethyl-2-[(3-methyl-2-sulfanylbutanoyl)amino]butanoyl]amino]-3-phenylmethoxypropanoate Traditional Name: 3-benzoxy-2-[[2-ethyl-2-[(2-mercapto-3-methyl-butanoyl)amino]butanoyl]amino]propionic acid ethyl ester Formula: C23H36N2O5S MolecularWeight: 452.60734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)(C(=O)NC(COCC1=CC=CC=C1)C(=O)OCC)NC(=O)C(C(C)C)S

Isomeric SMILES

CCC(CC)(C(=O)NC(COCC1=CC=CC=C1)C(=O)OCC)NC(=O)C(C(C)C)S

InChI

InChI=1S/C23H36N2O5S/c1-6-23(7-2,25-20(26)19(31)16(4)5)22(28)24-18(21(27)30-8-3)15-29-14-17-12-10-9-11-13-17/h9-13,16,18-19,31H,6-8,14-15H2,1-5H3,(H,24,28)(H,25,26)