tert-butyl 4-methyl-4-[[4-methyl-4-[(4-methyl-3-oxidanyl-4-phenylsulfanyl-pentanoyl)amino]pentanoyl]amino]pentanoate

Systemtic Name: tert-butyl 4-methyl-4-[[4-methyl-4-[(4-methyl-3-oxidanyl-4-phenylsulfanyl-pentanoyl)amino]pentanoyl]amino]pentanoate Openeye Name: tert-butyl 4-[[4-[(3-hydroxy-4-methyl-4-phenylsulfanyl-pentanoyl)amino]-4-methyl-pentanoyl]amino]-4-methyl-pentanoate CAS Name: 4-[[4-[[3-hydroxy-4-methyl-1-oxo-4-(phenylthio)pentyl]amino]-4-methyl-1-oxopentyl]amino]-4-methylpentanoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[4-[(3-hydroxy-4-methyl-4-phenylsulfanylpentanoyl)amino]-4-methylpentanoyl]amino]-4-methylpentanoate Traditional Name: 4-[[4-[[3-hydroxy-4-methyl-4-(phenylthio)pentanoyl]amino]-4-methyl-pentanoyl]amino]-4-methyl-valeric acid tert-butyl ester Formula: C28H46N2O5S MolecularWeight: 522.74024

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCC(C)(C)NC(=O)CCC(C)(C)NC(=O)CC(C(C)(C)SC1=CC=CC=C1)O

Isomeric SMILES

CC(C)(C)OC(=O)CCC(C)(C)NC(=O)CCC(C)(C)NC(=O)CC(C(C)(C)SC1=CC=CC=C1)O

InChI

InChI=1S/C28H46N2O5S/c1-25(2,3)35-24(34)16-18-27(6,7)29-22(32)15-17-26(4,5)30-23(33)19-21(31)28(8,9)36-20-13-11-10-12-14-20/h10-14,21,31H,15-19H2,1-9H3,(H,29,32)(H,30,33)