UUK

tert-butyl (1-((4-(dibenzylamino)-4-oxobutyl)amino)-4-methyl-1-oxopentan-2-yl)carbamate

Created:	2021-03-19
Last modified:	2024-09-27

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1 entries where UUK is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	77
Chiral Atom Count	1
Bond Count	78
Aromatic Bond Count	12

2D diagram of UUK

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Chemical Component Summary
Name	tert-butyl (1-((4-(dibenzylamino)-4-oxobutyl)amino)-4-methyl-1-oxopentan-2-yl)carbamate
Synonyms	~{tert}-butyl ~{N}-[(2~{S})-1-[[4-[bis(phenylmethyl)amino]-4-oxidanylidene-butyl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate; acrylamide inhibitor Gu3110
Systematic Name (OpenEye OEToolkits)	~{tert}-butyl ~{N}-[(2~{S})-1-[[4-[bis(phenylmethyl)amino]-4-oxidanylidene-butyl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate
Formula	C₂₉ H₄₁ N₃ O₄
Molecular Weight	495.654
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CC(C)C[CH](NC(=O)OC(C)(C)C)C(=O)NCCCC(=O)N(Cc1ccccc1)Cc2ccccc2
SMILES	OpenEye OEToolkits	2.0.7	CC(C)CC(C(=O)NCCCC(=O)N(Cc1ccccc1)Cc2ccccc2)NC(=O)OC(C)(C)C
Canonical SMILES	CACTVS	3.385	CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCCC(=O)N(Cc1ccccc1)Cc2ccccc2
Canonical SMILES	OpenEye OEToolkits	2.0.7	CC(C)C[C@@H](C(=O)NCCCC(=O)N(Cc1ccccc1)Cc2ccccc2)NC(=O)OC(C)(C)C
InChI	InChI	1.03	InChI=1S/C29H41N3O4/c1-22(2)19-25(31-28(35)36-29(3,4)5)27(34)30-18-12-17-26(33)32(20-23-13-8-6-9-14-23)21-24-15-10-7-11-16-24/h6-11,13-16,22,25H,12,17-21H2,1-5H3,(H,30,34)(H,31,35)/t25-/m0/s1
InChIKey	InChI	1.03	RIIFVLHFONFLOV-VWLOTQADSA-N

Related Resource References

Resource Name	Reference
PubChem	156595846

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