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

Systemtic Name: 2-[2,5-bis(azanyl)pentanoyl-quinolin-3-yl-amino]-3-phenyl-propanethioic S-acid Openeye Name: 2-[2,5-diaminopentanoyl(3-quinolyl)amino]-3-phenyl-propanethioic S-acid CAS Name: 2-[(2,5-diamino-1-oxopentyl)-(3-quinolinyl)amino]-3-phenylpropanethioic S-acid IUPAC Name: 2-[2,5-diaminopentanoyl(quinolin-3-yl)amino]-3-phenylpropanethioic S-acid Traditional Name: 2-[2,5-diaminopentanoyl(3-quinolyl)amino]-3-phenyl-thiopropionic acid Formula: C23H26N4O2S MolecularWeight: 422.54314

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)S)N(C2=CC3=CC=CC=C3N=C2)C(=O)C(CCCN)N

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)S)N(C2=CC3=CC=CC=C3N=C2)C(=O)C(CCCN)N

InChI

InChI=1S/C23H26N4O2S/c24-12-6-10-19(25)22(28)27(18-14-17-9-4-5-11-20(17)26-15-18)21(23(29)30)13-16-7-2-1-3-8-16/h1-5,7-9,11,14-15,19,21H,6,10,12-13,24-25H2,(H,29,30)