(2S)-4-methyl-2-[[(2S)-3-oxidanyl-2-(3-oxidanyldecanoylamino)propanoyl]amino]pentanoic acid

Systemtic Name: (2S)-4-methyl-2-[[(2S)-3-oxidanyl-2-(3-oxidanyldecanoylamino)propanoyl]amino]pentanoic acid Openeye Name: (2S)-2-[[(2S)-3-hydroxy-2-(3-hydroxydecanoylamino)propanoyl]amino]-4-methyl-pentanoic acid CAS Name: (2S)-2-[[(2S)-3-hydroxy-2-[(3-hydroxy-1-oxodecyl)amino]-1-oxopropyl]amino]-4-methylpentanoic acid IUPAC Name: (2S)-2-[[(2S)-3-hydroxy-2-(3-hydroxydecanoylamino)propanoyl]amino]-4-methylpentanoic acid Traditional Name: (2S)-2-[[(2S)-3-hydroxy-2-(3-hydroxydecanoylamino)propanoyl]amino]-4-methyl-valeric acid Formula: C19H36N2O6 MolecularWeight: 388.49894

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCCCCC(CC(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)O)O

InChI

InChI=1S/C19H36N2O6/c1-4-5-6-7-8-9-14(23)11-17(24)20-16(12-22)18(25)21-15(19(26)27)10-13(2)3/h13-16,22-23H,4-12H2,1-3H3,(H,20,24)(H,21,25)(H,26,27)/t14?,15-,16-/m0/s1