methyl 2-[[2-[[3-methyl-2-(pyridin-3-ylcarbonylamino)pentanoyl]amino]-3-phenyl-propanoyl]amino]-4-methylsulfanyl-butanoate

Systemtic Name: methyl 2-[[2-[[3-methyl-2-(pyridin-3-ylcarbonylamino)pentanoyl]amino]-3-phenyl-propanoyl]amino]-4-methylsulfanyl-butanoate Openeye Name: methyl 2-[[2-[[3-methyl-2-(pyridine-3-carbonylamino)pentanoyl]amino]-3-phenyl-propanoyl]amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[2-[[3-methyl-1-oxo-2-[[oxo(3-pyridinyl)methyl]amino]pentyl]amino]-1-oxo-3-phenylpropyl]amino]-4-(methylthio)butanoic acid methyl ester IUPAC Name: methyl 2-[[2-[[3-methyl-2-(pyridine-3-carbonylamino)pentanoyl]amino]-3-phenylpropanoyl]amino]-4-methylsulfanylbutanoate Traditional Name: 2-[[2-[(3-methyl-2-nicotinamido-pentanoyl)amino]-3-phenyl-propanoyl]amino]-4-(methylthio)butyric acid methyl ester Formula: C27H36N4O5S MolecularWeight: 528.66354

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCSC)C(=O)OC)NC(=O)C2=CN=CC=C2

Isomeric SMILES

CCC(C)C(C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CCSC)C(=O)OC)NC(=O)C2=CN=CC=C2

InChI

InChI=1S/C27H36N4O5S/c1-5-18(2)23(31-24(32)20-12-9-14-28-17-20)26(34)30-22(16-19-10-7-6-8-11-19)25(33)29-21(13-15-37-4)27(35)36-3/h6-12,14,17-18,21-23H,5,13,15-16H2,1-4H3,(H,29,33)(H,30,34)(H,31,32)