Compound C40H78N18O11

2,6-diamino-N-[6-amino-1-[[1-[[1-[[1-[[1-[[1-[[1-[(1-amino-3-hydroxy-1-oxopropan-2-yl)amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]hexanamide

CAS: 119386-39-9

Molecular Formula	`C40H78N18O11`
Molecular Weight	987.2 g/mol
LogP	-7.9
Topological Polar Surface Area	523.0 A2
Hydrogen Bond Donors	18
Hydrogen Bond Acceptors	16
Rotatable Bonds	35
Exact Mass	986.60974
Heavy Atoms	69
Complexity	1750.0

Chemical Identifiers

CAS Number	119386-39-9
SMILES	`CC(C(C(=O)NC(CO)C(=O)N)NC(=O)C(C)NC(=O)C(CCCN=C(N)N)NC(=O)C(C)NC(=O)C(C)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCCN)NC(=O)C(CCCCN)N)O`
InChIKey	`FDCBNCDCLDMQDU-UHFFFAOYSA-N`

📖 Product Overview

Compound C40H78N18O11 (CAS: 119386-39-9) is a chemical compound with molecular formula C40H78N18O11 and molecular weight 987.2 g/mol. Its IUPAC systematic name is 2,6-diamino-N-[6-amino-1-[[1-[[1-[[1-[[1-[[1-[[1-[(1-amino-3-hydroxy-1-oxopropan-2-yl)amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]hexanamide. LogP -7.9 Topological Polar Surface Area 523.0 A2 Hydrogen Bond Donors 18 Hydrogen Bond Acceptors 16 Rotatable Bonds 35 Exact Mass 986.60974 Heavy Atoms 69 Complexity 1750.0 InChI Key: FDCBNCDCLDMQDU-UHFFFAOYSA-N. SMILES: CC(C(C(=O)NC(CO)C(=O)N)NC(=O)C(C)NC(=O)C(CCCN=C(N)N)NC(=O)C(C)NC(=O)C(C)NC(=O)C(CCCN=C(N)N)NC(=O)C(CCCCN)NC(=O)C(CCCCN)N)O.

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