(2S)-2-[[(2S,3R)-3-azanyl-6-methyl-2-oxidanyl-octanoyl]amino]-3-methyl-butanoic acid

Systemtic Name: (2S)-2-[[(2S,3R)-3-azanyl-6-methyl-2-oxidanyl-octanoyl]amino]-3-methyl-butanoic acid Openeye Name: (2S)-2-[[(2S,3R)-3-amino-2-hydroxy-6-methyl-octanoyl]amino]-3-methyl-butanoic acid CAS Name: (2S)-2-[[(2S,3R)-3-amino-2-hydroxy-6-methyl-1-oxooctyl]amino]-3-methylbutanoic acid IUPAC Name: (2S)-2-[[(2S,3R)-3-amino-2-hydroxy-6-methyloctanoyl]amino]-3-methylbutanoic acid Traditional Name: (2S)-2-[[(2S,3R)-3-amino-2-hydroxy-6-methyl-octanoyl]amino]-3-methyl-butyric acid Formula: C14H28N2O4 MolecularWeight: 288.38312

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CCC(C(C(=O)NC(C(C)C)C(=O)O)O)N

Isomeric SMILES

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

InChI

InChI=1S/C14H28N2O4/c1-5-9(4)6-7-10(15)12(17)13(18)16-11(8(2)3)14(19)20/h8-12,17H,5-7,15H2,1-4H3,(H,16,18)(H,19,20)/t9?,10-,11+,12+/m1/s1