QRP

(3S,8aS)-3-(1H-indol-3-ylmethyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione

Created:	2010-07-27
Last modified:	2020-05-27

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9 entries where QRP is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	38
Chiral Atom Count	2
Bond Count	41
Aromatic Bond Count	10

2D diagram of QRP

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Chemical Component Summary
Name	(3S,8aS)-3-(1H-indol-3-ylmethyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
Synonyms	Brevianamide F; cyclo-L-Trp-L-Pro
Systematic Name (OpenEye OEToolkits)	(3S,8aS)-3-(1H-indol-3-ylmethyl)-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
Formula	C₁₆ H₁₇ N₃ O₂
Molecular Weight	283.325
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C1N4C(C(=O)NC1Cc3c2ccccc2nc3)CCC4
SMILES	CACTVS	3.370	O=C1N[CH](Cc2c[nH]c3ccccc23)C(=O)N4CCC[CH]14
SMILES	OpenEye OEToolkits	1.7.0	c1ccc2c(c1)c(c[nH]2)CC3C(=O)N4CCCC4C(=O)N3
Canonical SMILES	CACTVS	3.370	O=C1N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N4CCC[C@@H]14
Canonical SMILES	OpenEye OEToolkits	1.7.0	c1ccc2c(c1)c(c[nH]2)C[C@H]3C(=O)N4CCC[C@H]4C(=O)N3
InChI	InChI	1.03	InChI=1S/C16H17N3O2/c20-15-14-6-3-7-19(14)16(21)13(18-15)8-10-9-17-12-5-2-1-4-11(10)12/h1-2,4-5,9,13-14,17H,3,6-8H2,(H,18,20)/t13-,14-/m0/s1
InChIKey	InChI	1.03	RYFZBPVMVYTEKZ-KBPBESRZSA-N

Related Resource References

Resource Name	Reference
PubChem	181567
ChEMBL	CHEMBL563557
ChEBI	CHEBI:64530
CCDC/CSD	COCYEZ

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