2-azanyl-N-[6-(hydroxymethyl)-1-[6-[(3-methyl-1-oxidanylidene-pentan-2-yl)amino]-5-oxidanylidene-hexyl]sulfanyl-4-oxidanylidene-nonan-3-yl]butanediamide

Systemtic Name: 2-azanyl-N-[6-(hydroxymethyl)-1-[6-[(3-methyl-1-oxidanylidene-pentan-2-yl)amino]-5-oxidanylidene-hexyl]sulfanyl-4-oxidanylidene-nonan-3-yl]butanediamide Openeye Name: 2-amino-N-[1-[2-[6-[(1-formyl-2-methyl-butyl)amino]-5-oxo-hexyl]sulfanylethyl]-4-(hydroxymethyl)-2-oxo-heptyl]butanediamide CAS Name: 2-amino-N-[6-(hydroxymethyl)-1-[[6-[(3-methyl-1-oxopentan-2-yl)amino]-5-oxohexyl]thio]-4-oxononan-3-yl]butanediamide IUPAC Name: 2-amino-N-[6-(hydroxymethyl)-1-[6-[(3-methyl-1-oxopentan-2-yl)amino]-5-oxohexyl]sulfanyl-4-oxononan-3-yl]butanediamide Traditional Name: 2-amino-N-[1-[2-[[6-[(1-formyl-2-methyl-butyl)amino]-5-keto-hexyl]thio]ethyl]-2-keto-4-methylol-heptyl]succinamide Formula: C26H48N4O6S MolecularWeight: 544.74752

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CC(=O)C(CCSCCCCC(=O)CNC(C=O)C(C)CC)NC(=O)C(CC(=O)N)N)CO

Isomeric SMILES

CCCC(CC(=O)C(CCSCCCCC(=O)CNC(C=O)C(C)CC)NC(=O)C(CC(=O)N)N)CO

InChI

InChI=1S/C26H48N4O6S/c1-4-8-19(16-31)13-24(34)22(30-26(36)21(27)14-25(28)35)10-12-37-11-7-6-9-20(33)15-29-23(17-32)18(3)5-2/h17-19,21-23,29,31H,4-16,27H2,1-3H3,(H2,28,35)(H,30,36)