N-[1-azanyl-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]-2-butan-2-yl-5-methyl-4-sulfanyl-heptanamide

Systemtic Name: N-[1-azanyl-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]-2-butan-2-yl-5-methyl-4-sulfanyl-heptanamide Openeye Name: N-[2-amino-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]-5-methyl-2-sec-butyl-4-sulfanyl-heptanamide CAS Name: N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-2-butan-2-yl-4-mercapto-5-methylheptanamide IUPAC Name: N-[1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-2-butan-2-yl-5-methyl-4-sulfanylheptanamide Traditional Name: N-[2-amino-1-(4-hydroxybenzyl)-2-keto-ethyl]-4-mercapto-5-methyl-2-sec-butyl-enanthamide Formula: C21H34N2O3S MolecularWeight: 394.57126

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(CC(C(C)CC)S)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)N

Isomeric SMILES

CCC(C)C(CC(C(C)CC)S)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)N

InChI

InChI=1S/C21H34N2O3S/c1-5-13(3)17(12-19(27)14(4)6-2)21(26)23-18(20(22)25)11-15-7-9-16(24)10-8-15/h7-10,13-14,17-19,24,27H,5-6,11-12H2,1-4H3,(H2,22,25)(H,23,26)