2-[(2S,3R)-2-benzamido-3-oxidanyl-butanoyl]decanedioic acid

Systemtic Name: 2-[(2S,3R)-2-benzamido-3-oxidanyl-butanoyl]decanedioic acid Openeye Name: 2-[(2S,3R)-2-benzamido-3-hydroxy-butanoyl]decanedioic acid CAS Name: 2-[(2S,3R)-2-benzamido-3-hydroxy-1-oxobutyl]decanedioic acid IUPAC Name: 2-[(2S,3R)-2-benzamido-3-hydroxybutanoyl]decanedioic acid Traditional Name: 2-[(2S,3R)-2-benzamido-3-hydroxy-butanoyl]sebacic acid Formula: C21H29NO7 MolecularWeight: 407.45746

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)C(CCCCCCCC(=O)O)C(=O)O)NC(=O)C1=CC=CC=C1)O

Isomeric SMILES

C[C@H]([C@@H](C(=O)C(CCCCCCCC(=O)O)C(=O)O)NC(=O)C1=CC=CC=C1)O

InChI

InChI=1S/C21H29NO7/c1-14(23)18(22-20(27)15-10-6-5-7-11-15)19(26)16(21(28)29)12-8-3-2-4-9-13-17(24)25/h5-7,10-11,14,16,18,23H,2-4,8-9,12-13H2,1H3,(H,22,27)(H,24,25)(H,28,29)/t14-,16?,18+/m1/s1