(2S)-2-[[(2R,3S)-3-azanyl-2-oxidanyl-octanoyl]amino]-3-methyl-butanoic acid

Systemtic Name: (2S)-2-[[(2R,3S)-3-azanyl-2-oxidanyl-octanoyl]amino]-3-methyl-butanoic acid Openeye Name: (2S)-2-[[(2R,3S)-3-amino-2-hydroxy-octanoyl]amino]-3-methyl-butanoic acid CAS Name: (2S)-2-[[(2R,3S)-3-amino-2-hydroxy-1-oxooctyl]amino]-3-methylbutanoic acid IUPAC Name: (2S)-2-[[(2R,3S)-3-amino-2-hydroxyoctanoyl]amino]-3-methylbutanoic acid Traditional Name: (2S)-2-[[(2R,3S)-3-amino-2-hydroxy-octanoyl]amino]-3-methyl-butyric acid Formula: C13H26N2O4 MolecularWeight: 274.35654

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C(C(=O)NC(C(C)C)C(=O)O)O)N

Isomeric SMILES

CCCCC[C@@H]([C@H](C(=O)N[C@@H](C(C)C)C(=O)O)O)N

InChI

InChI=1S/C13H26N2O4/c1-4-5-6-7-9(14)11(16)12(17)15-10(8(2)3)13(18)19/h8-11,16H,4-7,14H2,1-3H3,(H,15,17)(H,18,19)/t9-,10-,11+/m0/s1