sodium (2R)-3-methyl-2-[[(2R)-4-methyl-2-(undec-10-enylamino)pentanoyl]amino]butanoate

Systemtic Name: sodium (2R)-3-methyl-2-[[(2R)-4-methyl-2-(undec-10-enylamino)pentanoyl]amino]butanoate Openeye Name: sodium (2R)-3-methyl-2-[[(2R)-4-methyl-2-(undec-10-enylamino)pentanoyl]amino]butanoate CAS Name: sodium (2R)-3-methyl-2-[[(2R)-4-methyl-1-oxo-2-(undec-10-enylamino)pentyl]amino]butanoate IUPAC Name: sodium (2R)-3-methyl-2-[[(2R)-4-methyl-2-(undec-10-enylamino)pentanoyl]amino]butanoate Traditional Name: sodium (2R)-3-methyl-2-[[(2R)-4-methyl-2-(undec-10-enylamino)pentanoyl]amino]butyrate Formula: C22H41N2NaO3 MolecularWeight: 404.56231

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H42N2O3.Na/c1-6-7-8-9-10-11-12-13-14-15-23-19(16-17(2)3)21(25)24-20(18(4)5)22(26)27;/h6,17-20,23H,1,7-16H2,2-5H3,(H,24,25)(H,26,27);/q;+1/p-1/t19-,20-;/m1./s1