(2S)-2-[[(2S)-6-azanyl-2-(hexadecanoylamino)hexanoyl]amino]-3-oxidanyl-propanoic acid

Systemtic Name: (2S)-2-[[(2S)-6-azanyl-2-(hexadecanoylamino)hexanoyl]amino]-3-oxidanyl-propanoic acid Openeye Name: (2S)-2-[[(2S)-6-amino-2-(hexadecanoylamino)hexanoyl]amino]-3-hydroxy-propanoic acid CAS Name: (2S)-2-[[(2S)-6-amino-1-oxo-2-(1-oxohexadecylamino)hexyl]amino]-3-hydroxypropanoic acid IUPAC Name: (2S)-2-[[(2S)-6-amino-2-(hexadecanoylamino)hexanoyl]amino]-3-hydroxypropanoic acid Traditional Name: (2S)-2-[[(2S)-6-amino-2-palmitamido-hexanoyl]amino]-3-hydroxy-propionic acid Formula: C25H49N3O5 MolecularWeight: 471.67366

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NC(CCCCN)C(=O)NC(CO)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)O

InChI

InChI=1S/C25H49N3O5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-23(30)27-21(17-15-16-19-26)24(31)28-22(20-29)25(32)33/h21-22,29H,2-20,26H2,1H3,(H,27,30)(H,28,31)(H,32,33)/t21-,22-/m0/s1