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

Systemtic Name: (2S)-2-[[(2S)-3-azanyl-2-(hexadecanoylamino)butanoyl]amino]-3-oxidanyl-propanoic acid Openeye Name: (2S)-2-[[(2S)-3-amino-2-(hexadecanoylamino)butanoyl]amino]-3-hydroxy-propanoic acid CAS Name: (2S)-2-[[(2S)-3-amino-1-oxo-2-(1-oxohexadecylamino)butyl]amino]-3-hydroxypropanoic acid IUPAC Name: (2S)-2-[[(2S)-3-amino-2-(hexadecanoylamino)butanoyl]amino]-3-hydroxypropanoic acid Traditional Name: (2S)-2-[[(2S)-3-amino-2-palmitamido-butanoyl]amino]-3-hydroxy-propionic acid Formula: C23H45N3O5 MolecularWeight: 443.6205

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H45N3O5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20(28)26-21(18(2)24)22(29)25-19(17-27)23(30)31/h18-19,21,27H,3-17,24H2,1-2H3,(H,25,29)(H,26,28)(H,30,31)/t18?,19-,21-/m0/s1