(2R)-3-[(2-azanyl-3-octanoyloxy-3-oxidanylidene-propyl)disulfanyl]-2-(octanoylamino)propanoic acid

Systemtic Name: (2R)-3-[(2-azanyl-3-octanoyloxy-3-oxidanylidene-propyl)disulfanyl]-2-(octanoylamino)propanoic acid Openeye Name: (2R)-3-[(2-amino-3-octanoyloxy-3-oxo-propyl)disulfanyl]-2-(octanoylamino)propanoic acid CAS Name: (2R)-3-[[2-amino-3-oxo-3-(1-oxooctoxy)propyl]disulfanyl]-2-(1-oxooctylamino)propanoic acid IUPAC Name: (2R)-3-[(2-amino-3-octanoyloxy-3-oxopropyl)disulfanyl]-2-(octanoylamino)propanoic acid Traditional Name: (2R)-3-[(2-amino-3-caprylyloxy-3-keto-propyl)disulfanyl]-2-(caprylylamino)propionic acid Formula: C22H40N2O6S2 MolecularWeight: 492.6928

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(CSSCC(C(=O)OC(=O)CCCCCCC)N)C(=O)O

Isomeric SMILES

CCCCCCCC(=O)N[C@@H](CSSCC(C(=O)OC(=O)CCCCCCC)N)C(=O)O

InChI

InChI=1S/C22H40N2O6S2/c1-3-5-7-9-11-13-19(25)24-18(21(27)28)16-32-31-15-17(23)22(29)30-20(26)14-12-10-8-6-4-2/h17-18H,3-16,23H2,1-2H3,(H,24,25)(H,27,28)/t17?,18-/m0/s1