2-azanyl-2-(2-carboxyethylsulfanyl)icos-7-ynoic acid

Systemtic Name: 2-azanyl-2-(2-carboxyethylsulfanyl)icos-7-ynoic acid Openeye Name: 2-amino-2-(2-carboxyethylsulfanyl)icos-7-ynoic acid CAS Name: 2-amino-2-(2-carboxyethylthio)-7-eicosynoic acid IUPAC Name: 2-amino-2-(2-carboxyethylsulfanyl)icos-7-ynoic acid Traditional Name: 2-amino-2-(2-carboxyethylthio)eicos-7-ynoic acid Formula: C23H41NO4S MolecularWeight: 427.64094

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC#CCCCCC(C(=O)O)(N)SCCC(=O)O

Isomeric SMILES

CCCCCCCCCCCCC#CCCCCC(C(=O)O)(N)SCCC(=O)O

InChI

InChI=1S/C23H41NO4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-23(24,22(27)28)29-20-18-21(25)26/h2-12,15-20,24H2,1H3,(H,25,26)(H,27,28)