4-[bis[(E)-octadec-9-enyl]amino]-2-methyl-3-oxidanylidene-5-sulfanyl-pentanoic acid

Systemtic Name: 4-[bis[(E)-octadec-9-enyl]amino]-2-methyl-3-oxidanylidene-5-sulfanyl-pentanoic acid Openeye Name: 4-[bis[(E)-octadec-9-enyl]amino]-2-methyl-3-oxo-5-sulfanyl-pentanoic acid CAS Name: 4-[bis[(E)-octadec-9-enyl]amino]-5-mercapto-2-methyl-3-oxopentanoic acid IUPAC Name: 4-[bis[(E)-octadec-9-enyl]amino]-2-methyl-3-oxo-5-sulfanylpentanoic acid Traditional Name: 4-[bis[(E)-octadec-9-enyl]amino]-3-keto-5-mercapto-2-methyl-valeric acid Formula: C42H79NO3S MolecularWeight: 678.14656

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCN(CCCCCCCCC=CCCCCCCCC)C(CS)C(=O)C(C)C(=O)O

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCN(C(C(=O)C(C(=O)O)C)CS)CCCCCCCC/C=C/CCCCCCCC

InChI

InChI=1S/C42H79NO3S/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(40(38-47)41(44)39(3)42(45)46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2/h18-21,39-40,47H,4-17,22-38H2,1-3H3,(H,45,46)/b20-18+,21-19+