2-[2,5-bis(azanyl)pentanoyl-quinolin-2-yl-amino]-4-methyl-pentanethioic S-acid

Systemtic Name: 2-[2,5-bis(azanyl)pentanoyl-quinolin-2-yl-amino]-4-methyl-pentanethioic S-acid Openeye Name: 2-[2,5-diaminopentanoyl(2-quinolyl)amino]-4-methyl-pentanethioic S-acid CAS Name: 2-[(2,5-diamino-1-oxopentyl)-(2-quinolinyl)amino]-4-methylpentanethioic S-acid IUPAC Name: 2-[2,5-diaminopentanoyl(quinolin-2-yl)amino]-4-methylpentanethioic S-acid Traditional Name: 2-[2,5-diaminopentanoyl(2-quinolyl)amino]-4-methyl-thiovaleric acid Formula: C20H28N4O2S MolecularWeight: 388.52692

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)S)N(C1=NC2=CC=CC=C2C=C1)C(=O)C(CCCN)N

Isomeric SMILES

CC(C)CC(C(=O)S)N(C1=NC2=CC=CC=C2C=C1)C(=O)C(CCCN)N

InChI

InChI=1S/C20H28N4O2S/c1-13(2)12-17(20(26)27)24(19(25)15(22)7-5-11-21)18-10-9-14-6-3-4-8-16(14)23-18/h3-4,6,8-10,13,15,17H,5,7,11-12,21-22H2,1-2H3,(H,26,27)