(2S)-2-[[(2R)-4-methyl-2-(3-oxidanyloctanoylamino)pentanoyl]amino]-3-oxidanyl-propanoic acid

Systemtic Name: (2S)-2-[[(2R)-4-methyl-2-(3-oxidanyloctanoylamino)pentanoyl]amino]-3-oxidanyl-propanoic acid Openeye Name: (2S)-3-hydroxy-2-[[(2R)-2-(3-hydroxyoctanoylamino)-4-methyl-pentanoyl]amino]propanoic acid CAS Name: (2S)-3-hydroxy-2-[[(2R)-2-[(3-hydroxy-1-oxooctyl)amino]-4-methyl-1-oxopentyl]amino]propanoic acid IUPAC Name: (2S)-3-hydroxy-2-[[(2R)-2-(3-hydroxyoctanoylamino)-4-methylpentanoyl]amino]propanoic acid Traditional Name: (2S)-3-hydroxy-2-[[(2R)-2-(3-hydroxyoctanoylamino)-4-methyl-pentanoyl]amino]propionic acid Formula: C17H32N2O6 MolecularWeight: 360.44578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H32N2O6/c1-4-5-6-7-12(21)9-15(22)18-13(8-11(2)3)16(23)19-14(10-20)17(24)25/h11-14,20-21H,4-10H2,1-3H3,(H,18,22)(H,19,23)(H,24,25)/t12?,13-,14+/m1/s1