1-[2,6-bis(azanyl)hexanoyl]-2-phenylmethoxycarbonyl-1,3-thiazolidine-1-carboxylate

Systemtic Name: 1-[2,6-bis(azanyl)hexanoyl]-2-phenylmethoxycarbonyl-1,3-thiazolidine-1-carboxylate Openeye Name: 2-benzyloxycarbonyl-1-(2,6-diaminohexanoyl)-1,3-thiazolidine-1-carboxylate CAS Name: 1-(2,6-diamino-1-oxohexyl)-2-phenylmethoxycarbonyl-1,3-thiazolidine-1-carboxylate IUPAC Name: 1-(2,6-diaminohexanoyl)-2-phenylmethoxycarbonyl-1,3-thiazolidine-1-carboxylate Traditional Name: 2-carbobenzoxy-1-(2,6-diaminohexanoyl)-1,3-thiazolidine-1-carboxylate Formula: C18H26N3O5S- MolecularWeight: 396.48114

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(C(N1)C(=O)OCC2=CC=CC=C2)(C(=O)C(CCCCN)N)C(=O)[O-]

Isomeric SMILES

C1CS(C(N1)C(=O)OCC2=CC=CC=C2)(C(=O)C(CCCCN)N)C(=O)[O-]

InChI

InChI=1S/C18H27N3O5S/c19-9-5-4-8-14(20)17(23)27(18(24)25)11-10-21-15(27)16(22)26-12-13-6-2-1-3-7-13/h1-3,6-7,14-15,21H,4-5,8-12,19-20H2,(H,24,25)/p-1