WMA

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

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

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1 entries where WMA is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	37
Chiral Atom Count	2
Bond Count	39
Aromatic Bond Count	10

2D diagram of WMA

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Chemical Component Summary
Name	(3S,6S)-3-ethyl-6-[(1H-indol-3-yl)methyl]piperazine-2,5-dione
Systematic Name (OpenEye OEToolkits)	(3~{S},6~{S})-3-ethyl-6-(1~{H}-indol-3-ylmethyl)piperazine-2,5-dione
Formula	C₁₅ H₁₇ N₃ O₂
Molecular Weight	271.314
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	n2c3ccccc3c(CC1C(NC(C(=O)N1)CC)=O)c2
SMILES	CACTVS	3.385	CC[CH]1NC(=O)[CH](Cc2c[nH]c3ccccc23)NC1=O
SMILES	OpenEye OEToolkits	2.0.7	CCC1C(=O)NC(C(=O)N1)Cc2c[nH]c3c2cccc3
Canonical SMILES	CACTVS	3.385	CC[C@@H]1NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	CC[C@H]1C(=O)N[C@H](C(=O)N1)Cc2c[nH]c3c2cccc3
InChI	InChI	1.03	InChI=1S/C15H17N3O2/c1-2-11-14(19)18-13(15(20)17-11)7-9-8-16-12-6-4-3-5-10(9)12/h3-6,8,11,13,16H,2,7H2,1H3,(H,17,20)(H,18,19)/t11-,13-/m0/s1
InChIKey	InChI	1.03	BLROIZPIUOLTDB-AAEUAGOBSA-N

Related Resource References

Resource Name	Reference
PubChem	155921268

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