The CAS register number of Sodium N-hexadecanoyl-L-valinate is 32190-54-8. It also can be called as Sodium (2S)-3-methyl-2-(palmitoylamino)butanoate and the systematic name about this chemical is L-valine, N-(1-oxohexadecyl)-, sodium salt (1:1). The molecular formula about this chemical is C21H40NNaO3 and molecular weight is 377.54.
You can still convert the following datas into molecular structure:
(1)SMILES: CCCCCCCCCCCCCCCC(=O)N[C@@H](C(C)C)C(=O)[O-].[Na+]
(2)InChI: InChI=1/C21H41NO3.Na/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(23)22-20(18(2)3)21(24)25;/h18,20H,4-17H2,1-3H3,(H,22,23)(H,24,25);/q;+1/p-1/t20-;/m0./s1
(3)InChIKey: JGADVGDHNLQJCN-RFPKNVAKBM
(4)Std. InChI: InChI=1S/C21H41NO3.Na/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(23)22-20(18(2)3)21(24)25;/h18,20H,4-17H2,1-3H3,(H,22,23)(H,24,25);/q;+1/p-1/t20-;/m0./s1
(5)Std. InChIKey: JGADVGDHNLQJCN-BDQAORGHSA-M
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