QZD

N~2~-{[(5-ethyl-1,3-dioxan-5-yl)oxy]carbonyl}-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide

Created:	2020-01-17
Last modified:	2024-09-27

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

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Chemical Details
Formal Charge	0
Atom Count	65
Chiral Atom Count	3
Bond Count	66
Aromatic Bond Count	0

2D diagram of QZD

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Chemical Component Summary
Name	N~2~-{[(5-ethyl-1,3-dioxan-5-yl)oxy]carbonyl}-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
Systematic Name (OpenEye OEToolkits)	(5-ethyl-1,3-dioxan-5-yl) ~{N}-[(2~{S})-4-methyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]carbamate
Formula	C₂₀ H₃₅ N₃ O₇
Molecular Weight	429.508
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	C(C(NC(C(CC(C)C)NC(OC1(COCOC1)CC)=O)=O)CO)C2C(=O)NCC2
SMILES	CACTVS	3.385	CCC1(COCOC1)OC(=O)N[CH](CC(C)C)C(=O)N[CH](CO)C[CH]2CCNC2=O
SMILES	OpenEye OEToolkits	2.0.7	CCC1(COCOC1)OC(=O)NC(CC(C)C)C(=O)NC(CC2CCNC2=O)CO
Canonical SMILES	CACTVS	3.385	CCC1(COCOC1)OC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CO)C[C@@H]2CCNC2=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	CCC1(COCOC1)OC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]2CCNC2=O)CO
InChI	InChI	1.03	InChI=1S/C20H35N3O7/c1-4-20(10-28-12-29-11-20)30-19(27)23-16(7-13(2)3)18(26)22-15(9-24)8-14-5-6-21-17(14)25/h13-16,24H,4-12H2,1-3H3,(H,21,25)(H,22,26)(H,23,27)/t14-,15-,16-/m0/s1
InChIKey	InChI	1.03	CIPOPMFGDDGOBO-JYJNAYRXSA-N

Related Resource References

Resource Name	Reference
PubChem	154571999

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