UYG

(3S,6S)-3-[(1H-indol-3-yl)methyl]-6-(propan-2-yl)piperazine-2,5-dione

Created:	2020-06-05
Last modified:	2021-06-09

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1 entries where UYG is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	40
Chiral Atom Count	2
Bond Count	42
Aromatic Bond Count	10

2D diagram of UYG

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Chemical Component Summary
Name	(3S,6S)-3-[(1H-indol-3-yl)methyl]-6-(propan-2-yl)piperazine-2,5-dione
Systematic Name (OpenEye OEToolkits)	(3~{S},6~{S})-3-(1~{H}-indol-3-ylmethyl)-6-propan-2-yl-piperazine-2,5-dione
Formula	C₁₆ H₁₉ N₃ O₂
Molecular Weight	285.341
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c2cccc3c(CC1C(NC(C(=O)N1)C(C)C)=O)cnc23
SMILES	CACTVS	3.385	CC(C)[CH]1NC(=O)[CH](Cc2c[nH]c3ccccc23)NC1=O
SMILES	OpenEye OEToolkits	2.0.7	CC(C)C1C(=O)NC(C(=O)N1)Cc2c[nH]c3c2cccc3
Canonical SMILES	CACTVS	3.385	CC(C)[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	CC(C)[C@H]1C(=O)N[C@H](C(=O)N1)Cc2c[nH]c3c2cccc3
InChI	InChI	1.03	InChI=1S/C16H19N3O2/c1-9(2)14-16(21)18-13(15(20)19-14)7-10-8-17-12-6-4-3-5-11(10)12/h3-6,8-9,13-14,17H,7H2,1-2H3,(H,18,21)(H,19,20)/t13-,14-/m0/s1
InChIKey	InChI	1.03	WNWCQIPRIITCPM-KBPBESRZSA-N

Related Resource References

Resource Name	Reference
PubChem	92160941
CCDC/CSD	DITBAM

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