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

Systemtic Name: S-(1,3-benzothiazol-2-yl) 5-azanyl-2-[(2-azanyl-3-phenyl-propanoyl)amino]pentanethioate Openeye Name: S-(1,3-benzothiazol-2-yl) 5-amino-2-[(2-amino-3-phenyl-propanoyl)amino]pentanethioate CAS Name: 5-amino-2-[(2-amino-1-oxo-3-phenylpropyl)amino]pentanethioic acid S-(1,3-benzothiazol-2-yl) ester IUPAC Name: S-(1,3-benzothiazol-2-yl) 5-amino-2-[(2-amino-3-phenylpropanoyl)amino]pentanethioate Traditional Name: 5-amino-2-(phenylalanylamino)pentanethioic acid S-(1,3-benzothiazol-2-yl) ester Formula: C21H24N4O2S2 MolecularWeight: 428.57086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O2S2/c22-12-6-10-17(24-19(26)15(23)13-14-7-2-1-3-8-14)20(27)29-21-25-16-9-4-5-11-18(16)28-21/h1-5,7-9,11,15,17H,6,10,12-13,22-23H2,(H,24,26)