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

Systemtic Name: (2S)-2-[[(2S,3R)-3-azanyl-2-oxidanyl-decanoyl]amino]-4-methyl-pentanoic acid Openeye Name: (2S)-2-[[(2S,3R)-3-amino-2-hydroxy-decanoyl]amino]-4-methyl-pentanoic acid CAS Name: (2S)-2-[[(2S,3R)-3-amino-2-hydroxy-1-oxodecyl]amino]-4-methylpentanoic acid IUPAC Name: (2S)-2-[[(2S,3R)-3-amino-2-hydroxydecanoyl]amino]-4-methylpentanoic acid Traditional Name: (2S)-2-[[(2S,3R)-3-amino-2-hydroxy-decanoyl]amino]-4-methyl-valeric acid Formula: C16H32N2O4 MolecularWeight: 316.43628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H32N2O4/c1-4-5-6-7-8-9-12(17)14(19)15(20)18-13(16(21)22)10-11(2)3/h11-14,19H,4-10,17H2,1-3H3,(H,18,20)(H,21,22)/t12-,13+,14+/m1/s1