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

Systemtic Name: S-(1,3-benzothiazol-2-yl) 5-azanyl-2-[(2-azanyl-4-phenyl-butanoyl)amino]pentanethioate Openeye Name: S-(1,3-benzothiazol-2-yl) 5-amino-2-[(2-amino-4-phenyl-butanoyl)amino]pentanethioate CAS Name: 5-amino-2-[(2-amino-1-oxo-4-phenylbutyl)amino]pentanethioic acid S-(1,3-benzothiazol-2-yl) ester IUPAC Name: S-(1,3-benzothiazol-2-yl) 5-amino-2-[(2-amino-4-phenylbutanoyl)amino]pentanethioate Traditional Name: 5-amino-2-[(2-amino-4-phenyl-butanoyl)amino]pentanethioic acid S-(1,3-benzothiazol-2-yl) ester Formula: C22H26N4O2S2 MolecularWeight: 442.59744

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(C(=O)NC(CCCN)C(=O)SC2=NC3=CC=CC=C3S2)N

Isomeric SMILES

C1=CC=C(C=C1)CCC(C(=O)NC(CCCN)C(=O)SC2=NC3=CC=CC=C3S2)N

InChI

InChI=1S/C22H26N4O2S2/c23-14-6-10-18(21(28)30-22-26-17-9-4-5-11-19(17)29-22)25-20(27)16(24)13-12-15-7-2-1-3-8-15/h1-5,7-9,11,16,18H,6,10,12-14,23-24H2,(H,25,27)