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

Systemtic Name: (2S)-2-[[(2S)-4-methylsulfanyl-2-(undec-10-enoylamino)butanoyl]amino]butanedioic acid Openeye Name: (2S)-2-[[(2S)-4-methylsulfanyl-2-(undec-10-enoylamino)butanoyl]amino]butanedioic acid CAS Name: (2S)-2-[[(2S)-4-(methylthio)-1-oxo-2-(1-oxoundec-10-enylamino)butyl]amino]butanedioic acid IUPAC Name: (2S)-2-[[(2S)-4-methylsulfanyl-2-(undec-10-enoylamino)butanoyl]amino]butanedioic acid Traditional Name: (2S)-2-[[(2S)-4-(methylthio)-2-(undec-10-enoylamino)butanoyl]amino]succinic acid Formula: C20H34N2O6S MolecularWeight: 430.55876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H34N2O6S/c1-3-4-5-6-7-8-9-10-11-17(23)21-15(12-13-29-2)19(26)22-16(20(27)28)14-18(24)25/h3,15-16H,1,4-14H2,2H3,(H,21,23)(H,22,26)(H,24,25)(H,27,28)/t15-,16-/m0/s1