2-azanyl-N-[1-[(1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl)amino]-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]-4-methylsulfanyl-butanamide

Systemtic Name: 2-azanyl-N-[1-[(1-azanyl-1-oxidanylidene-3-phenyl-propan-2-yl)amino]-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]-4-methylsulfanyl-butanamide Openeye Name: 2-amino-N-[2-[(2-amino-1-benzyl-2-oxo-ethyl)amino]-1-[(4-hydroxyphenyl)methyl]-2-oxo-ethyl]-4-methylsulfanyl-butanamide CAS Name: 2-amino-N-[1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-4-(methylthio)butanamide IUPAC Name: 2-amino-N-[1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]-4-methylsulfanylbutanamide Traditional Name: 2-amino-N-[2-[(2-amino-1-benzyl-2-keto-ethyl)amino]-1-(4-hydroxybenzyl)-2-keto-ethyl]-4-(methylthio)butyramide Formula: C23H30N4O4S MolecularWeight: 458.5737

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CC2=CC=CC=C2)C(=O)N)N

Isomeric SMILES

CSCCC(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CC2=CC=CC=C2)C(=O)N)N

InChI

InChI=1S/C23H30N4O4S/c1-32-12-11-18(24)22(30)27-20(14-16-7-9-17(28)10-8-16)23(31)26-19(21(25)29)13-15-5-3-2-4-6-15/h2-10,18-20,28H,11-14,24H2,1H3,(H2,25,29)(H,26,31)(H,27,30)