methyl (2S)-2-[[1-[[(2S)-2-ethanoylsulfanyl-3-methyl-butanoyl]amino]cyclopentyl]carbonylamino]-3-pyridin-3-yl-propanoate

Systemtic Name: methyl (2S)-2-[[1-[[(2S)-2-ethanoylsulfanyl-3-methyl-butanoyl]amino]cyclopentyl]carbonylamino]-3-pyridin-3-yl-propanoate Openeye Name: methyl (2S)-2-[[1-[[(2S)-2-acetylsulfanyl-3-methyl-butanoyl]amino]cyclopentanecarbonyl]amino]-3-(3-pyridyl)propanoate CAS Name: (2S)-2-[[[1-[[(2S)-2-(acetylthio)-3-methyl-1-oxobutyl]amino]cyclopentyl]-oxomethyl]amino]-3-(3-pyridinyl)propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[1-[[(2S)-2-acetylsulfanyl-3-methylbutanoyl]amino]cyclopentanecarbonyl]amino]-3-pyridin-3-ylpropanoate Traditional Name: (2S)-2-[[1-[[(2S)-2-(acetylthio)-3-methyl-butanoyl]amino]cyclopentanecarbonyl]amino]-3-(3-pyridyl)propionic acid methyl ester Formula: C22H31N3O5S MolecularWeight: 449.56364

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1(CCCC1)C(=O)NC(CC2=CN=CC=C2)C(=O)OC)SC(=O)C

Isomeric SMILES

CC(C)[C@@H](C(=O)NC1(CCCC1)C(=O)N[C@@H](CC2=CN=CC=C2)C(=O)OC)SC(=O)C

InChI

InChI=1S/C22H31N3O5S/c1-14(2)18(31-15(3)26)19(27)25-22(9-5-6-10-22)21(29)24-17(20(28)30-4)12-16-8-7-11-23-13-16/h7-8,11,13-14,17-18H,5-6,9-10,12H2,1-4H3,(H,24,29)(H,25,27)/t17-,18-/m0/s1