2-[[2-benzamido-4-(4-methoxy-2-oxidanyl-butyl)sulfanyl-butanoyl]amino]-3-oxidanyl-3-phenyl-propanoic acid

Systemtic Name: 2-[[2-benzamido-4-(4-methoxy-2-oxidanyl-butyl)sulfanyl-butanoyl]amino]-3-oxidanyl-3-phenyl-propanoic acid Openeye Name: 2-[[2-benzamido-4-(2-hydroxy-4-methoxy-butyl)sulfanyl-butanoyl]amino]-3-hydroxy-3-phenyl-propanoic acid CAS Name: 2-[[2-benzamido-4-[(2-hydroxy-4-methoxybutyl)thio]-1-oxobutyl]amino]-3-hydroxy-3-phenylpropanoic acid IUPAC Name: 2-[[2-benzamido-4-(2-hydroxy-4-methoxybutyl)sulfanylbutanoyl]amino]-3-hydroxy-3-phenylpropanoic acid Traditional Name: 2-[[2-benzamido-4-[(2-hydroxy-4-methoxy-butyl)thio]butanoyl]amino]-3-hydroxy-3-phenyl-propionic acid Formula: C25H32N2O7S MolecularWeight: 504.59578

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Descriptors Computed from Structure

Canonical SMILES:

COCCC(CSCCC(C(=O)NC(C(C1=CC=CC=C1)O)C(=O)O)NC(=O)C2=CC=CC=C2)O

Isomeric SMILES

COCCC(CSCCC(C(=O)NC(C(C1=CC=CC=C1)O)C(=O)O)NC(=O)C2=CC=CC=C2)O

InChI

InChI=1S/C25H32N2O7S/c1-34-14-12-19(28)16-35-15-13-20(26-23(30)18-10-6-3-7-11-18)24(31)27-21(25(32)33)22(29)17-8-4-2-5-9-17/h2-11,19-22,28-29H,12-16H2,1H3,(H,26,30)(H,27,31)(H,32,33)