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Summary Geometry Related PDB entries

DQ6

Summary

Name:	(2S)-2-AMINO-5-(3-METHYLPHENYL)-5,5-DIPHENYLPROPANOIC ACID
Formula:	C24 H25 N O2
Formal charge:	0
Formula weight:	359.461 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	5-(3-methylphenyl)-5,5-diphenyl-L-norvaline
OpenEye OEToolkits	1.9.2	(2S)-2-azanyl-5-(3-methylphenyl)-5,5-diphenyl-pentanoic acid

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)C(N)CCC(c1ccccc1)(c2ccccc2)c3cccc(c3)C
InChI	InChI	1.03	InChI=1S/C24H25NO2/c1-18-9-8-14-21(17-18)24(16-15-22(25)23(26)27,19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-14,17,22H,15-16,25H2,1H3,(H,26,27)/t22-/m0/s1
InChIKey	InChI	1.03	JXIGVUPYYZGRRZ-QFIPXVFZSA-N
SMILES_CANONICAL	CACTVS	3.385	Cc1cccc(c1)C(CC[C@H](N)C(O)=O)(c2ccccc2)c3ccccc3
SMILES	CACTVS	3.385	Cc1cccc(c1)C(CC[CH](N)C(O)=O)(c2ccccc2)c3ccccc3
SMILES_CANONICAL	OpenEye OEToolkits	1.9.2	Cc1cccc(c1)C(CC[C@@H](C(=O)O)N)(c2ccccc2)c3ccccc3
SMILES	OpenEye OEToolkits	1.9.2	Cc1cccc(c1)C(CCC(C(=O)O)N)(c2ccccc2)c3ccccc3

218500

PDB entries from 2024-04-17

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