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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)N(C2=NC3=CC=CC=C3S2)C(CCCN)C(=O)S)N

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)N(C2=NC3=CC=CC=C3S2)C(CCCN)C(=O)S)N

InChI

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