sodium (2S)-4-methyl-2-[[(2S)-3-methyl-2-(undec-10-enylamino)butanoyl]amino]pentanoate

Systemtic Name: sodium (2S)-4-methyl-2-[[(2S)-3-methyl-2-(undec-10-enylamino)butanoyl]amino]pentanoate Openeye Name: sodium (2S)-4-methyl-2-[[(2S)-3-methyl-2-(undec-10-enylamino)butanoyl]amino]pentanoate CAS Name: sodium (2S)-4-methyl-2-[[(2S)-3-methyl-1-oxo-2-(undec-10-enylamino)butyl]amino]pentanoate IUPAC Name: sodium (2S)-4-methyl-2-[[(2S)-3-methyl-2-(undec-10-enylamino)butanoyl]amino]pentanoate Traditional Name: sodium (2S)-4-methyl-2-[[(2S)-3-methyl-2-(undec-10-enylamino)butanoyl]amino]valerate Formula: C22H41N2NaO3 MolecularWeight: 404.56231

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)[O-])NC(=O)C(C(C)C)NCCCCCCCCCC=C.[Na+]

Isomeric SMILES

CC(C)C[C@@H](C(=O)[O-])NC(=O)[C@H](C(C)C)NCCCCCCCCCC=C.[Na+]

InChI

InChI=1S/C22H42N2O3.Na/c1-6-7-8-9-10-11-12-13-14-15-23-20(18(4)5)21(25)24-19(22(26)27)16-17(2)3;/h6,17-20,23H,1,7-16H2,2-5H3,(H,24,25)(H,26,27);/q;+1/p-1/t19-,20-;/m0./s1