S-(1,3-benzothiazol-2-yl) 5-azanyl-2-[(2-azanyl-4-phenyl-butanoyl)-methyl-amino]pentanethioate

Systemtic Name: S-(1,3-benzothiazol-2-yl) 5-azanyl-2-[(2-azanyl-4-phenyl-butanoyl)-methyl-amino]pentanethioate Openeye Name: S-(1,3-benzothiazol-2-yl) 5-amino-2-[(2-amino-4-phenyl-butanoyl)-methyl-amino]pentanethioate CAS Name: 5-amino-2-[(2-amino-1-oxo-4-phenylbutyl)-methylamino]pentanethioic acid S-(1,3-benzothiazol-2-yl) ester IUPAC Name: S-(1,3-benzothiazol-2-yl) 5-amino-2-[(2-amino-4-phenylbutanoyl)-methylamino]pentanethioate Traditional Name: 5-amino-2-[(2-amino-4-phenyl-butanoyl)-methyl-amino]pentanethioic acid S-(1,3-benzothiazol-2-yl) ester Formula: C23H28N4O2S2 MolecularWeight: 456.62402

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(CCCN)C(=O)SC1=NC2=CC=CC=C2S1)C(=O)C(CCC3=CC=CC=C3)N

Isomeric SMILES

CN(C(CCCN)C(=O)SC1=NC2=CC=CC=C2S1)C(=O)C(CCC3=CC=CC=C3)N

InChI

InChI=1S/C23H28N4O2S2/c1-27(21(28)17(25)14-13-16-8-3-2-4-9-16)19(11-7-15-24)22(29)31-23-26-18-10-5-6-12-20(18)30-23/h2-6,8-10,12,17,19H,7,11,13-15,24-25H2,1H3