UQW

[(2R)-1-[2-(1H-indol-3-yl)ethylamino]-1-oxidanylidene-butan-2-yl] prop-2-enoate

Created:	2021-03-09
Last modified:	2021-06-16

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

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Chemical Details
Formal Charge	0
Atom Count	42
Chiral Atom Count	1
Bond Count	43
Aromatic Bond Count	10

2D diagram of UQW

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Chemical Component Summary
Name	[(2R)-1-[2-(1H-indol-3-yl)ethylamino]-1-oxidanylidene-butan-2-yl] prop-2-enoate
Synonyms	[(2~{R})-1-[2-(1~{H}-indol-3-yl)ethylamino]-1-oxidanylidene-butan-2-yl] prop-2-enoate
Systematic Name (OpenEye OEToolkits)	[(2~{R})-1-[2-(1~{H}-indol-3-yl)ethylamino]-1-oxidanylidene-butan-2-yl] prop-2-enoate
Formula	C₁₇ H₂₀ N₂ O₃
Molecular Weight	300.352
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CC[CH](OC(=O)C=C)C(=O)NCCc1c[nH]c2ccccc12
SMILES	OpenEye OEToolkits	2.0.7	CCC(C(=O)NCCc1c[nH]c2c1cccc2)OC(=O)C=C
Canonical SMILES	CACTVS	3.385	CC[C@@H](OC(=O)C=C)C(=O)NCCc1c[nH]c2ccccc12
Canonical SMILES	OpenEye OEToolkits	2.0.7	CC[C@H](C(=O)NCCc1c[nH]c2c1cccc2)OC(=O)C=C
InChI	InChI	1.03	InChI=1S/C17H20N2O3/c1-3-15(22-16(20)4-2)17(21)18-10-9-12-11-19-14-8-6-5-7-13(12)14/h4-8,11,15,19H,2-3,9-10H2,1H3,(H,18,21)/t15-/m1/s1
InChIKey	InChI	1.03	UWYXREXKBLOKIU-OAHLLOKOSA-N

Related Resource References

Resource Name	Reference
PubChem	156022782

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