3-(1H-imidazol-5-yl)-2-[(phenylmethyl)-tridecanethioyl-amino]propanoic acid

Systemtic Name: 3-(1H-imidazol-5-yl)-2-[(phenylmethyl)-tridecanethioyl-amino]propanoic acid Openeye Name: 2-[benzyl(tridecanethioyl)amino]-3-(1H-imidazol-5-yl)propanoic acid CAS Name: 3-(1H-imidazol-5-yl)-2-[(phenylmethyl)-(1-sulfanylidenetridecyl)amino]propanoic acid IUPAC Name: 2-[benzyl(tridecanethioyl)amino]-3-(1H-imidazol-5-yl)propanoic acid Traditional Name: 2-[benzyl(tridecanethioyl)amino]-3-(1H-imidazol-5-yl)propionic acid Formula: C26H39N3O2S MolecularWeight: 457.67176

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(=S)N(CC1=CC=CC=C1)C(CC2=CN=CN2)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCC(=S)N(CC1=CC=CC=C1)C(CC2=CN=CN2)C(=O)O

InChI

InChI=1S/C26H39N3O2S/c1-2-3-4-5-6-7-8-9-10-14-17-25(32)29(20-22-15-12-11-13-16-22)24(26(30)31)18-23-19-27-21-28-23/h11-13,15-16,19,21,24H,2-10,14,17-18,20H2,1H3,(H,27,28)(H,30,31)