(2S)-2-[[(2S)-2-acetamido-3-oxidanyl-butanoyl]amino]-3-methyl-N-[(Z)-1-oxidanyl-2-oxidanylidene-heptadec-10-enyl]butanamide

Systemtic Name: (2S)-2-[[(2S)-2-acetamido-3-oxidanyl-butanoyl]amino]-3-methyl-N-[(Z)-1-oxidanyl-2-oxidanylidene-heptadec-10-enyl]butanamide Openeye Name: (2S)-2-[[(2S)-2-acetamido-3-hydroxy-butanoyl]amino]-N-[(Z)-1-hydroxy-2-oxo-heptadec-10-enyl]-3-methyl-butanamide CAS Name: (2S)-2-[[(2S)-2-acetamido-3-hydroxy-1-oxobutyl]amino]-N-[(Z)-1-hydroxy-2-oxoheptadec-10-enyl]-3-methylbutanamide IUPAC Name: (2S)-2-[[(2S)-2-acetamido-3-hydroxybutanoyl]amino]-N-[(Z)-1-hydroxy-2-oxoheptadec-10-enyl]-3-methylbutanamide Traditional Name: (2S)-2-[[(2S)-2-acetamido-3-hydroxy-butanoyl]amino]-N-[(Z)-1-hydroxy-2-keto-heptadec-10-enyl]-3-methyl-butyramide Formula: C28H51N3O6 MolecularWeight: 525.72104

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC=CCCCCCCCC(=O)C(NC(=O)C(C(C)C)NC(=O)C(C(C)O)NC(=O)C)O

Isomeric SMILES

CCCCCC/C=C\CCCCCCCC(=O)C(NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)O)NC(=O)C)O

InChI

InChI=1S/C28H51N3O6/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(34)26(35)31-27(36)24(20(2)3)30-28(37)25(21(4)32)29-22(5)33/h11-12,20-21,24-26,32,35H,6-10,13-19H2,1-5H3,(H,29,33)(H,30,37)(H,31,36)/b12-11-/t21?,24-,25-,26?/m0/s1