2-chloranylethanal; 3-dodecylsulfanyl-2-(phenylmethoxycarbonylamino)propanoic acid

Systemtic Name: 2-chloranylethanal; 3-dodecylsulfanyl-2-(phenylmethoxycarbonylamino)propanoic acid Openeye Name: 2-(benzyloxycarbonylamino)-3-dodecylsulfanyl-propanoic acid; 2-chloroacetaldehyde CAS Name: 2-chloroacetaldehyde; 3-(dodecylthio)-2-(phenylmethoxycarbonylamino)propanoic acid IUPAC Name: 2-chloroacetaldehyde; 3-dodecylsulfanyl-2-(phenylmethoxycarbonylamino)propanoic acid Traditional Name: 2-(benzyloxycarbonylamino)-3-(laurylthio)propionic acid; 2-chloroacetaldehyde Formula: C25H40ClNO5S MolecularWeight: 502.1068

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCSCC(C(=O)O)NC(=O)OCC1=CC=CC=C1.C(C=O)Cl

Isomeric SMILES

CCCCCCCCCCCCSCC(C(=O)O)NC(=O)OCC1=CC=CC=C1.C(C=O)Cl

InChI

InChI=1S/C23H37NO4S.C2H3ClO/c1-2-3-4-5-6-7-8-9-10-14-17-29-19-21(22(25)26)24-23(27)28-18-20-15-12-11-13-16-20;3-1-2-4/h11-13,15-16,21H,2-10,14,17-19H2,1H3,(H,24,27)(H,25,26);2H,1H2