English 日本語简体中文繁體中文 한국어

✖

Menu

RCSB PDB PDBe BMRB Adv. Search Search help

Summary Geometry Related PDB entries

CPV

Summary

Name:	5-AMINO-6-CYCLOHEXYL-4-HYDROXY-2-ISOPROPYL-HEXANOIC ACID
Synonyms:	(2S,4S,5S)-5-amino-6-cyclohexyl-4-hydroxy-2-(1-methylethyl)hexanoic acid
Formula:	C15 H29 N O3
Formal charge:	0
Formula weight:	271.396 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(2S,4S,5S)-5-amino-6-cyclohexyl-4-hydroxy-2-(propan-2-yl)hexanoic acid
OpenEye OEToolkits	1.7.0	(2S,4S,5S)-5-azanyl-6-cyclohexyl-4-hydroxy-2-propan-2-yl-hexanoic acid

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)C(C(C)C)CC(O)C(N)CC1CCCCC1
SMILES_CANONICAL	CACTVS	3.370	CC(C)[C@H](C[C@H](O)[C@@H](N)CC1CCCCC1)C(O)=O
SMILES	CACTVS	3.370	CC(C)[CH](C[CH](O)[CH](N)CC1CCCCC1)C(O)=O
SMILES_CANONICAL	OpenEye OEToolkits	1.7.0	CC(C)[C@H](C[C@@H]([C@H](CC1CCCCC1)N)O)C(=O)O
SMILES	OpenEye OEToolkits	1.7.0	CC(C)C(CC(C(CC1CCCCC1)N)O)C(=O)O
InChI	InChI	1.03	InChI=1S/C15H29NO3/c1-10(2)12(15(18)19)9-14(17)13(16)8-11-6-4-3-5-7-11/h10-14,17H,3-9,16H2,1-2H3,(H,18,19)/t12-,13-,14-/m0/s1
InChIKey	InChI	1.03	SRFUYEFGHOTBHV-IHRRRGAJSA-N

222415

数据于2024-07-10公开中

PDB statistics

PDBj update info

Contact PDBj

numon