methyl 4-[[2-[1-azanyl-3-(4-hydroxyphenyl)sulfanyl-1-oxidanylidene-propan-2-yl]-4-methyl-pentanoyl]amino]-5-(methylamino)-5-oxidanylidene-pentanoate

Systemtic Name: methyl 4-[[2-[1-azanyl-3-(4-hydroxyphenyl)sulfanyl-1-oxidanylidene-propan-2-yl]-4-methyl-pentanoyl]amino]-5-(methylamino)-5-oxidanylidene-pentanoate Openeye Name: methyl 4-[[2-[2-amino-1-[(4-hydroxyphenyl)sulfanylmethyl]-2-oxo-ethyl]-4-methyl-pentanoyl]amino]-5-(methylamino)-5-oxo-pentanoate CAS Name: 4-[[2-[1-amino-3-[(4-hydroxyphenyl)thio]-1-oxopropan-2-yl]-4-methyl-1-oxopentyl]amino]-5-(methylamino)-5-oxopentanoic acid methyl ester IUPAC Name: methyl 4-[[2-[1-amino-3-(4-hydroxyphenyl)sulfanyl-1-oxopropan-2-yl]-4-methylpentanoyl]amino]-5-(methylamino)-5-oxopentanoate Traditional Name: 4-[[2-[2-amino-1-[[(4-hydroxyphenyl)thio]methyl]-2-keto-ethyl]-4-methyl-pentanoyl]amino]-5-keto-5-(methylamino)valeric acid methyl ester Formula: C22H33N3O6S MolecularWeight: 467.57892

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(CSC1=CC=C(C=C1)O)C(=O)N)C(=O)NC(CCC(=O)OC)C(=O)NC

Isomeric SMILES

CC(C)CC(C(CSC1=CC=C(C=C1)O)C(=O)N)C(=O)NC(CCC(=O)OC)C(=O)NC

InChI

InChI=1S/C22H33N3O6S/c1-13(2)11-16(17(20(23)28)12-32-15-7-5-14(26)6-8-15)21(29)25-18(22(30)24-3)9-10-19(27)31-4/h5-8,13,16-18,26H,9-12H2,1-4H3,(H2,23,28)(H,24,30)(H,25,29)