2-[1,3-benzothiazol-2-yl-[2,5-bis(azanyl)pentanoyl]amino]-3-phenyl-propanethioic S-acid

Systemtic Name: 2-[1,3-benzothiazol-2-yl-[2,5-bis(azanyl)pentanoyl]amino]-3-phenyl-propanethioic S-acid Openeye Name: 2-[1,3-benzothiazol-2-yl(2,5-diaminopentanoyl)amino]-3-phenyl-propanethioic S-acid CAS Name: 2-[1,3-benzothiazol-2-yl-(2,5-diamino-1-oxopentyl)amino]-3-phenylpropanethioic S-acid IUPAC Name: 2-[1,3-benzothiazol-2-yl(2,5-diaminopentanoyl)amino]-3-phenylpropanethioic S-acid Traditional Name: 2-[1,3-benzothiazol-2-yl(2,5-diaminopentanoyl)amino]-3-phenyl-thiopropionic acid Formula: C21H24N4O2S2 MolecularWeight: 428.57086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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