(2S)-2-[[(2S)-4-methylsulfanyl-2-(undec-10-enoylamino)butanoyl]amino]pentanedioic acid

Systemtic Name: (2S)-2-[[(2S)-4-methylsulfanyl-2-(undec-10-enoylamino)butanoyl]amino]pentanedioic acid Openeye Name: (2S)-2-[[(2S)-4-methylsulfanyl-2-(undec-10-enoylamino)butanoyl]amino]pentanedioic acid CAS Name: (2S)-2-[[(2S)-4-(methylthio)-1-oxo-2-(1-oxoundec-10-enylamino)butyl]amino]pentanedioic acid IUPAC Name: (2S)-2-[[(2S)-4-methylsulfanyl-2-(undec-10-enoylamino)butanoyl]amino]pentanedioic acid Traditional Name: (2S)-2-[[(2S)-4-(methylthio)-2-(undec-10-enoylamino)butanoyl]amino]glutaric acid Formula: C21H36N2O6S MolecularWeight: 444.58534

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)NC(CCC(=O)O)C(=O)O)NC(=O)CCCCCCCCC=C

Isomeric SMILES

CSCC[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)O)NC(=O)CCCCCCCCC=C

InChI

InChI=1S/C21H36N2O6S/c1-3-4-5-6-7-8-9-10-11-18(24)22-16(14-15-30-2)20(27)23-17(21(28)29)12-13-19(25)26/h3,16-17H,1,4-15H2,2H3,(H,22,24)(H,23,27)(H,25,26)(H,28,29)/t16-,17-/m0/s1