2-[1H-benzimidazol-2-yl-[2,5-bis(azanyl)pentanoyl]amino]-3-sulfanyl-propanethioic S-acid

Systemtic Name: 2-[1H-benzimidazol-2-yl-[2,5-bis(azanyl)pentanoyl]amino]-3-sulfanyl-propanethioic S-acid Openeye Name: 2-[1H-benzimidazol-2-yl(2,5-diaminopentanoyl)amino]-3-sulfanyl-propanethioic S-acid CAS Name: 2-[1H-benzimidazol-2-yl-(2,5-diamino-1-oxopentyl)amino]-3-mercaptopropanethioic S-acid IUPAC Name: 2-[1H-benzimidazol-2-yl(2,5-diaminopentanoyl)amino]-3-sulfanylpropanethioic S-acid Traditional Name: 2-[1H-benzimidazol-2-yl(2,5-diaminopentanoyl)amino]-3-mercapto-thiopropionic acid Formula: C15H21N5O2S2 MolecularWeight: 367.48954

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)N(C(CS)C(=O)S)C(=O)C(CCCN)N

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)N(C(CS)C(=O)S)C(=O)C(CCCN)N

InChI

InChI=1S/C15H21N5O2S2/c16-7-3-4-9(17)13(21)20(12(8-23)14(22)24)15-18-10-5-1-2-6-11(10)19-15/h1-2,5-6,9,12,23H,3-4,7-8,16-17H2,(H,18,19)(H,22,24)