5-azanyl-N-[2-[[1-[(1-azanyl-4-methylsulfanyl-1-oxidanylidene-butan-2-yl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-2-oxidanylidene-ethyl]-6-(4-hydroxyphenyl)hexanamide

Systemtic Name: 5-azanyl-N-[2-[[1-[(1-azanyl-4-methylsulfanyl-1-oxidanylidene-butan-2-yl)amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-2-oxidanylidene-ethyl]-6-(4-hydroxyphenyl)hexanamide Openeye Name: 5-amino-N-[2-[[1-benzyl-2-[(1-carbamoyl-3-methylsulfanyl-propyl)amino]-2-oxo-ethyl]amino]-2-oxo-ethyl]-6-(4-hydroxyphenyl)hexanamide CAS Name: 5-amino-N-[2-[[1-[[1-amino-4-(methylthio)-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-6-(4-hydroxyphenyl)hexanamide IUPAC Name: 5-amino-N-[2-[[1-[(1-amino-4-methylsulfanyl-1-oxobutan-2-yl)amino]-1-oxo-3-phenylpropan-2-yl]amino]-2-oxoethyl]-6-(4-hydroxyphenyl)hexanamide Traditional Name: 5-amino-N-[2-[[1-benzyl-2-[[1-carbamoyl-3-(methylthio)propyl]amino]-2-keto-ethyl]amino]-2-keto-ethyl]-6-(4-hydroxyphenyl)hexanamide Formula: C28H39N5O5S MolecularWeight: 557.70476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H39N5O5S/c1-39-15-14-23(27(30)37)33-28(38)24(17-19-6-3-2-4-7-19)32-26(36)18-31-25(35)9-5-8-21(29)16-20-10-12-22(34)13-11-20/h2-4,6-7,10-13,21,23-24,34H,5,8-9,14-18,29H2,1H3,(H2,30,37)(H,31,35)(H,32,36)(H,33,38)