2-azanyl-N-[8-azanyl-6-(hydroxymethyl)-1-[6-[(3-methyl-1-oxidanylidene-pentan-2-yl)amino]-5-oxidanylidene-hexyl]sulfanyl-4-oxidanylidene-octan-3-yl]butanediamide

Systemtic Name: 2-azanyl-N-[8-azanyl-6-(hydroxymethyl)-1-[6-[(3-methyl-1-oxidanylidene-pentan-2-yl)amino]-5-oxidanylidene-hexyl]sulfanyl-4-oxidanylidene-octan-3-yl]butanediamide Openeye Name: 2-amino-N-[6-amino-1-[2-[6-[(1-formyl-2-methyl-butyl)amino]-5-oxo-hexyl]sulfanylethyl]-4-(hydroxymethyl)-2-oxo-hexyl]butanediamide CAS Name: 2-amino-N-[8-amino-6-(hydroxymethyl)-1-[[6-[(3-methyl-1-oxopentan-2-yl)amino]-5-oxohexyl]thio]-4-oxooctan-3-yl]butanediamide IUPAC Name: 2-amino-N-[8-amino-6-(hydroxymethyl)-1-[6-[(3-methyl-1-oxopentan-2-yl)amino]-5-oxohexyl]sulfanyl-4-oxooctan-3-yl]butanediamide Traditional Name: 2-amino-N-[6-amino-1-[2-[[6-[(1-formyl-2-methyl-butyl)amino]-5-keto-hexyl]thio]ethyl]-2-keto-4-methylol-hexyl]succinamide Formula: C25H47N5O6S MolecularWeight: 545.73558

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C=O)NCC(=O)CCCCSCCC(C(=O)CC(CCN)CO)NC(=O)C(CC(=O)N)N

Isomeric SMILES

CCC(C)C(C=O)NCC(=O)CCCCSCCC(C(=O)CC(CCN)CO)NC(=O)C(CC(=O)N)N

InChI

InChI=1S/C25H47N5O6S/c1-3-17(2)22(16-32)29-14-19(33)6-4-5-10-37-11-8-21(23(34)12-18(15-31)7-9-26)30-25(36)20(27)13-24(28)35/h16-18,20-22,29,31H,3-15,26-27H2,1-2H3,(H2,28,35)(H,30,36)