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

Systemtic Name: methyl (2S)-2-[[1-[[(2S)-2-ethanoylsulfanyl-3-methyl-butanoyl]amino]cyclopentyl]carbonylamino]-3-thiophen-2-yl-propanoate Openeye Name: methyl (2S)-2-[[1-[[(2S)-2-acetylsulfanyl-3-methyl-butanoyl]amino]cyclopentanecarbonyl]amino]-3-(2-thienyl)propanoate CAS Name: (2S)-2-[[[1-[[(2S)-2-(acetylthio)-3-methyl-1-oxobutyl]amino]cyclopentyl]-oxomethyl]amino]-3-thiophen-2-ylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[1-[[(2S)-2-acetylsulfanyl-3-methylbutanoyl]amino]cyclopentanecarbonyl]amino]-3-thiophen-2-ylpropanoate Traditional Name: (2S)-2-[[1-[[(2S)-2-(acetylthio)-3-methyl-butanoyl]amino]cyclopentanecarbonyl]amino]-3-(2-thienyl)propionic acid methyl ester Formula: C21H30N2O5S2 MolecularWeight: 454.6033

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1(CCCC1)C(=O)NC(CC2=CC=CS2)C(=O)OC)SC(=O)C

Isomeric SMILES

CC(C)[C@@H](C(=O)NC1(CCCC1)C(=O)N[C@@H](CC2=CC=CS2)C(=O)OC)SC(=O)C

InChI

InChI=1S/C21H30N2O5S2/c1-13(2)17(30-14(3)24)18(25)23-21(9-5-6-10-21)20(27)22-16(19(26)28-4)12-15-8-7-11-29-15/h7-8,11,13,16-17H,5-6,9-10,12H2,1-4H3,(H,22,27)(H,23,25)/t16-,17-/m0/s1