M8A

benzyl (2R)-2-{[4-(3-oxopropyl)phenyl]carbamoyl}pyrrolidine-1-carboxylate

Created:	2014-08-27
Last modified:	2015-02-25

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1 entries where M8A is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	52
Chiral Atom Count	1
Bond Count	54
Aromatic Bond Count	12

2D diagram of M8A

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Chemical Component Summary
Name	benzyl (2R)-2-{[4-(3-oxopropyl)phenyl]carbamoyl}pyrrolidine-1-carboxylate
Systematic Name (OpenEye OEToolkits)	(phenylmethyl) (2R)-2-[[4-(3-oxidanylidenepropyl)phenyl]carbamoyl]pyrrolidine-1-carboxylate
Formula	C₂₂ H₂₄ N₂ O₄
Molecular Weight	380.437
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=CCCc1ccc(cc1)NC(=O)C3N(C(=O)OCc2ccccc2)CCC3
SMILES	CACTVS	3.385	O=CCCc1ccc(NC(=O)[CH]2CCCN2C(=O)OCc3ccccc3)cc1
SMILES	OpenEye OEToolkits	1.7.6	c1ccc(cc1)COC(=O)N2CCCC2C(=O)Nc3ccc(cc3)CCC=O
Canonical SMILES	CACTVS	3.385	O=CCCc1ccc(NC(=O)[C@H]2CCCN2C(=O)OCc3ccccc3)cc1
Canonical SMILES	OpenEye OEToolkits	1.7.6	c1ccc(cc1)COC(=O)N2CCC[C@@H]2C(=O)Nc3ccc(cc3)CCC=O
InChI	InChI	1.03	InChI=1S/C22H24N2O4/c25-15-5-8-17-10-12-19(13-11-17)23-21(26)20-9-4-14-24(20)22(27)28-16-18-6-2-1-3-7-18/h1-3,6-7,10-13,15,20H,4-5,8-9,14,16H2,(H,23,26)/t20-/m1/s1
InChIKey	InChI	1.03	ACUUWDZYZLDIFD-HXUWFJFHSA-N

Related Resource References

Resource Name	Reference
PubChem	137349736

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