methyl 3-methyl-2-[[1-[(3-methylsulfanylphenyl)carbamoyl]-4-(2-thiophen-2-ylethanoylamino)piperidin-2-yl]carbonylamino]butanoate

Systemtic Name: methyl 3-methyl-2-[[1-[(3-methylsulfanylphenyl)carbamoyl]-4-(2-thiophen-2-ylethanoylamino)piperidin-2-yl]carbonylamino]butanoate Openeye Name: methyl 3-methyl-2-[[1-[(3-methylsulfanylphenyl)carbamoyl]-4-[[2-(2-thienyl)acetyl]amino]piperidine-2-carbonyl]amino]butanoate CAS Name: 3-methyl-2-[[[1-[[3-(methylthio)anilino]-oxomethyl]-4-[(1-oxo-2-thiophen-2-ylethyl)amino]-2-piperidinyl]-oxomethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 3-methyl-2-[[1-[(3-methylsulfanylphenyl)carbamoyl]-4-[(2-thiophen-2-ylacetyl)amino]piperidine-2-carbonyl]amino]butanoate Traditional Name: 3-methyl-2-[[1-[[3-(methylthio)phenyl]carbamoyl]-4-[[2-(2-thienyl)acetyl]amino]pipecoloyl]amino]butyric acid methyl ester Formula: C26H34N4O5S2 MolecularWeight: 546.70196

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NC(=O)C1CC(CCN1C(=O)NC2=CC(=CC=C2)SC)NC(=O)CC3=CC=CS3

Isomeric SMILES

CC(C)C(C(=O)OC)NC(=O)C1CC(CCN1C(=O)NC2=CC(=CC=C2)SC)NC(=O)CC3=CC=CS3

InChI

InChI=1S/C26H34N4O5S2/c1-16(2)23(25(33)35-3)29-24(32)21-14-18(27-22(31)15-20-9-6-12-37-20)10-11-30(21)26(34)28-17-7-5-8-19(13-17)36-4/h5-9,12-13,16,18,21,23H,10-11,14-15H2,1-4H3,(H,27,31)(H,28,34)(H,29,32)