6-azanyl-N-(1-azanyl-4-methylsulfanyl-1-oxidanylidene-butan-2-yl)-2-[[2-formamido-3-(4-hydroxyphenyl)propanoyl]amino]hexanamide

Systemtic Name: 6-azanyl-N-(1-azanyl-4-methylsulfanyl-1-oxidanylidene-butan-2-yl)-2-[[2-formamido-3-(4-hydroxyphenyl)propanoyl]amino]hexanamide Openeye Name: 6-amino-N-(1-carbamoyl-3-methylsulfanyl-propyl)-2-[[2-formamido-3-(4-hydroxyphenyl)propanoyl]amino]hexanamide CAS Name: 6-amino-N-[1-amino-4-(methylthio)-1-oxobutan-2-yl]-2-[[2-formamido-3-(4-hydroxyphenyl)-1-oxopropyl]amino]hexanamide IUPAC Name: 6-amino-N-(1-amino-4-methylsulfanyl-1-oxobutan-2-yl)-2-[[2-formamido-3-(4-hydroxyphenyl)propanoyl]amino]hexanamide Traditional Name: 6-amino-N-[1-carbamoyl-3-(methylthio)propyl]-2-[[2-formamido-3-(4-hydroxyphenyl)propanoyl]amino]hexanamide Formula: C21H33N5O5S MolecularWeight: 467.58222

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)N)NC(=O)C(CCCCN)NC(=O)C(CC1=CC=C(C=C1)O)NC=O

Isomeric SMILES

CSCCC(C(=O)N)NC(=O)C(CCCCN)NC(=O)C(CC1=CC=C(C=C1)O)NC=O

InChI

InChI=1S/C21H33N5O5S/c1-32-11-9-16(19(23)29)25-20(30)17(4-2-3-10-22)26-21(31)18(24-13-27)12-14-5-7-15(28)8-6-14/h5-8,13,16-18,28H,2-4,9-12,22H2,1H3,(H2,23,29)(H,24,27)(H,25,30)(H,26,31)