2-[[2-[2,6-bis(azanyl)hexanoylamino]-3-sulfanyl-propanoyl]amino]-4-methyl-pentanoic acid

Systemtic Name: 2-[[2-[2,6-bis(azanyl)hexanoylamino]-3-sulfanyl-propanoyl]amino]-4-methyl-pentanoic acid Openeye Name: 2-[[2-(2,6-diaminohexanoylamino)-3-sulfanyl-propanoyl]amino]-4-methyl-pentanoic acid CAS Name: 2-[[2-[(2,6-diamino-1-oxohexyl)amino]-3-mercapto-1-oxopropyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[[2-(2,6-diaminohexanoylamino)-3-sulfanylpropanoyl]amino]-4-methylpentanoic acid Traditional Name: 2-[[2-(2,6-diaminohexanoylamino)-3-mercapto-propanoyl]amino]-4-methyl-valeric acid Formula: C15H30N4O4S MolecularWeight: 362.4881

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)NC(=O)C(CS)NC(=O)C(CCCCN)N

Isomeric SMILES

CC(C)CC(C(=O)O)NC(=O)C(CS)NC(=O)C(CCCCN)N

InChI

InChI=1S/C15H30N4O4S/c1-9(2)7-11(15(22)23)18-14(21)12(8-24)19-13(20)10(17)5-3-4-6-16/h9-12,24H,3-8,16-17H2,1-2H3,(H,18,21)(H,19,20)(H,22,23)