6-[6-[[2-acetamido-5-(2-hydroxyethylamino)-5-oxidanylidene-pentanoyl]amino]hexanoylamino]-2-[[1-[2-(ethoxyamino)-5-(2-hydroxyethylamino)-5-oxidanylidene-pentanoyl]piperidin-2-yl]carbonylamino]hexanoic acid

Systemtic Name: 6-[6-[[2-acetamido-5-(2-hydroxyethylamino)-5-oxidanylidene-pentanoyl]amino]hexanoylamino]-2-[[1-[2-(ethoxyamino)-5-(2-hydroxyethylamino)-5-oxidanylidene-pentanoyl]piperidin-2-yl]carbonylamino]hexanoic acid Openeye Name: 6-[6-[[2-acetamido-5-(2-hydroxyethylamino)-5-oxo-pentanoyl]amino]hexanoylamino]-2-[[1-[2-(ethoxyamino)-5-(2-hydroxyethylamino)-5-oxo-pentanoyl]piperidine-2-carbonyl]amino]hexanoic acid CAS Name: 6-[[6-[[2-acetamido-5-(2-hydroxyethylamino)-1,5-dioxopentyl]amino]-1-oxohexyl]amino]-2-[[[1-[2-(ethoxyamino)-5-(2-hydroxyethylamino)-1,5-dioxopentyl]-2-piperidinyl]-oxomethyl]amino]hexanoic acid IUPAC Name: 6-[6-[[2-acetamido-5-(2-hydroxyethylamino)-5-oxopentanoyl]amino]hexanoylamino]-2-[[1-[2-(ethoxyamino)-5-(2-hydroxyethylamino)-5-oxopentanoyl]piperidine-2-carbonyl]amino]hexanoic acid Traditional Name: 6-[6-[[2-acetamido-5-(2-hydroxyethylamino)-5-keto-pentanoyl]amino]hexanoylamino]-2-[[1-[2-(ethoxyamino)-5-(2-hydroxyethylamino)-5-keto-pentanoyl]pipecoloyl]amino]hexanoic acid Formula: C36H64N8O12 MolecularWeight: 800.93976

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Descriptors Computed from Structure

Canonical SMILES:

CCONC(CCC(=O)NCCO)C(=O)N1CCCCC1C(=O)NC(CCCCNC(=O)CCCCCNC(=O)C(CCC(=O)NCCO)NC(=O)C)C(=O)O

Isomeric SMILES

CCONC(CCC(=O)NCCO)C(=O)N1CCCCC1C(=O)NC(CCCCNC(=O)CCCCCNC(=O)C(CCC(=O)NCCO)NC(=O)C)C(=O)O

InChI

InChI=1S/C36H64N8O12/c1-3-56-43-27(15-17-32(50)39-21-24-46)35(53)44-22-10-7-12-29(44)34(52)42-28(36(54)55)11-6-9-18-37-30(48)13-5-4-8-19-40-33(51)26(41-25(2)47)14-16-31(49)38-20-23-45/h26-29,43,45-46H,3-24H2,1-2H3,(H,37,48)(H,38,49)(H,39,50)(H,40,51)(H,41,47)(H,42,52)(H,54,55)