(2S)-2-[[(2S,3R)-3-azanyl-2-oxidanyl-octanoyl]amino]-4-methyl-pentanoic acid

Systemtic Name: (2S)-2-[[(2S,3R)-3-azanyl-2-oxidanyl-octanoyl]amino]-4-methyl-pentanoic acid Openeye Name: (2S)-2-[[(2S,3R)-3-amino-2-hydroxy-octanoyl]amino]-4-methyl-pentanoic acid CAS Name: (2S)-2-[[(2S,3R)-3-amino-2-hydroxy-1-oxooctyl]amino]-4-methylpentanoic acid IUPAC Name: (2S)-2-[[(2S,3R)-3-amino-2-hydroxyoctanoyl]amino]-4-methylpentanoic acid Traditional Name: (2S)-2-[[(2S,3R)-3-amino-2-hydroxy-octanoyl]amino]-4-methyl-valeric acid Formula: C14H28N2O4 MolecularWeight: 288.38312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H28N2O4/c1-4-5-6-7-10(15)12(17)13(18)16-11(14(19)20)8-9(2)3/h9-12,17H,4-8,15H2,1-3H3,(H,16,18)(H,19,20)/t10-,11+,12+/m1/s1