3-methylbutyl (2S)-3-(4-hydroxyphenyl)-2-[[1-[[(2S)-3-methyl-2-sulfanyl-butanoyl]amino]cyclopentyl]carbonylamino]propanoate

Systemtic Name: 3-methylbutyl (2S)-3-(4-hydroxyphenyl)-2-[[1-[[(2S)-3-methyl-2-sulfanyl-butanoyl]amino]cyclopentyl]carbonylamino]propanoate Openeye Name: isopentyl (2S)-3-(4-hydroxyphenyl)-2-[[1-[[(2S)-3-methyl-2-sulfanyl-butanoyl]amino]cyclopentanecarbonyl]amino]propanoate CAS Name: (2S)-3-(4-hydroxyphenyl)-2-[[[1-[[(2S)-2-mercapto-3-methyl-1-oxobutyl]amino]cyclopentyl]-oxomethyl]amino]propanoic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl (2S)-3-(4-hydroxyphenyl)-2-[[1-[[(2S)-3-methyl-2-sulfanylbutanoyl]amino]cyclopentanecarbonyl]amino]propanoate Traditional Name: (2S)-3-(4-hydroxyphenyl)-2-[[1-[[(2S)-2-mercapto-3-methyl-butanoyl]amino]cyclopentanecarbonyl]amino]propionic acid isoamyl ester Formula: C25H38N2O5S MolecularWeight: 478.64462

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C2(CCCC2)NC(=O)C(C(C)C)S

Isomeric SMILES

CC(C)CCOC(=O)[C@H](CC1=CC=C(C=C1)O)NC(=O)C2(CCCC2)NC(=O)[C@H](C(C)C)S

InChI

InChI=1S/C25H38N2O5S/c1-16(2)11-14-32-23(30)20(15-18-7-9-19(28)10-8-18)26-24(31)25(12-5-6-13-25)27-22(29)21(33)17(3)4/h7-10,16-17,20-21,28,33H,5-6,11-15H2,1-4H3,(H,26,31)(H,27,29)/t20-,21-/m0/s1