methyl (2S)-2-[[1-(2-ethanoylsulfanylethanoylamino)cyclopentyl]carbonylamino]-3-(4-hydroxyphenyl)propanoate

Systemtic Name: methyl (2S)-2-[[1-(2-ethanoylsulfanylethanoylamino)cyclopentyl]carbonylamino]-3-(4-hydroxyphenyl)propanoate Openeye Name: methyl (2S)-2-[[1-[(2-acetylsulfanylacetyl)amino]cyclopentanecarbonyl]amino]-3-(4-hydroxyphenyl)propanoate CAS Name: (2S)-2-[[[1-[[2-(acetylthio)-1-oxoethyl]amino]cyclopentyl]-oxomethyl]amino]-3-(4-hydroxyphenyl)propanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[1-[(2-acetylsulfanylacetyl)amino]cyclopentanecarbonyl]amino]-3-(4-hydroxyphenyl)propanoate Traditional Name: (2S)-2-[[1-[[2-(acetylthio)acetyl]amino]cyclopentanecarbonyl]amino]-3-(4-hydroxyphenyl)propionic acid methyl ester Formula: C20H26N2O6S MolecularWeight: 422.49524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N2O6S/c1-13(23)29-12-17(25)22-20(9-3-4-10-20)19(27)21-16(18(26)28-2)11-14-5-7-15(24)8-6-14/h5-8,16,24H,3-4,9-12H2,1-2H3,(H,21,27)(H,22,25)/t16-/m0/s1