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Summary Geometry Related PDB entries

40H

Summary

Name:	(1R,4S,5S,6S)-4-aminospiro[bicyclo[3.1.0]hexane-2,1'-cyclopropane]-4,6-dicarboxylic acid
Formula:	C10 H13 N O4
Formal charge:	0
Formula weight:	211.215 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(1R,4S,5S,6S)-4-aminospiro[bicyclo[3.1.0]hexane-2,1'-cyclopropane]-4,6-dicarboxylic acid
OpenEye OEToolkits	1.9.2	(1S,2S,5R,6S)-2-azanylspiro[bicyclo[3.1.0]hexane-4,1'-cyclopropane]-2,6-dicarboxylic acid

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)C2C3C1(CC1)CC(N)(C(=O)O)C23
InChI	InChI	1.03	InChI=1S/C10H13NO4/c11-10(8(14)15)3-9(1-2-9)5-4(6(5)10)7(12)13/h4-6H,1-3,11H2,(H,12,13)(H,14,15)/t4-,5-,6+,10-/m0/s1
InChIKey	InChI	1.03	ADTIUNVCKYGIIN-AZOMRORLSA-N
SMILES_CANONICAL	CACTVS	3.385	N[C@]1(CC2(CC2)[C@H]3[C@@H]([C@@H]13)C(O)=O)C(O)=O
SMILES	CACTVS	3.385	N[C]1(CC2(CC2)[CH]3[CH]([CH]13)C(O)=O)C(O)=O
SMILES_CANONICAL	OpenEye OEToolkits	1.9.2	C1CC12C[C@]([C@H]3[C@@H]2[C@@H]3C(=O)O)(C(=O)O)N
SMILES	OpenEye OEToolkits	1.9.2	C1CC12CC(C3C2C3C(=O)O)(C(=O)O)N

222415

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