2P8

(2S)-N-benzyl-2-({(2S)-2-[(1R)-1,2-dihydroxyethyl]pyrrolidin-1-yl}carbonyl)pyrrolidine-1-carboxamide

Created:	2012-03-15
Last modified:	2024-09-27

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1 entries where 2P8 is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	53
Chiral Atom Count	3
Bond Count	55
Aromatic Bond Count	6

2D diagram of 2P8

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Chemical Component Summary
Name	(2S)-N-benzyl-2-({(2S)-2-[(1R)-1,2-dihydroxyethyl]pyrrolidin-1-yl}carbonyl)pyrrolidine-1-carboxamide
Systematic Name (OpenEye OEToolkits)	(2S)-2-[(2S)-2-[(1R)-1,2-bis(oxidanyl)ethyl]pyrrolidin-1-yl]carbonyl-N-(phenylmethyl)pyrrolidine-1-carboxamide
Formula	C₁₉ H₂₇ N₃ O₄
Molecular Weight	361.435
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(N1C(C(O)CO)CCC1)C3N(C(=O)NCc2ccccc2)CCC3
SMILES	CACTVS	3.370	OC[CH](O)[CH]1CCCN1C(=O)[CH]2CCCN2C(=O)NCc3ccccc3
SMILES	OpenEye OEToolkits	1.7.6	c1ccc(cc1)CNC(=O)N2CCCC2C(=O)N3CCCC3C(CO)O
Canonical SMILES	CACTVS	3.370	OC[C@H](O)[C@@H]1CCCN1C(=O)[C@@H]2CCCN2C(=O)NCc3ccccc3
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1ccc(cc1)CNC(=O)N2CCC[C@H]2C(=O)N3CCC[C@H]3[C@H](CO)O
InChI	InChI	1.03	InChI=1S/C19H27N3O4/c23-13-17(24)15-8-4-10-21(15)18(25)16-9-5-11-22(16)19(26)20-12-14-6-2-1-3-7-14/h1-3,6-7,15-17,23-24H,4-5,8-13H2,(H,20,26)/t15-,16-,17-/m0/s1
InChIKey	InChI	1.03	KPSYULVHJGJVEA-ULQDDVLXSA-N

Related Resource References

Resource Name	Reference
PubChem	72200812

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