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Summary Geometry Related PDB entries

FF0

Summary

Name:	(2R,3S)-3-amino-4-phenyl-1-[(3-phenylpropyl)amino]butan-2-ol
Formula:	C19 H26 N2 O
Formal charge:	0
Formula weight:	298.423 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(2R,3S)-3-amino-4-phenyl-1-[(3-phenylpropyl)amino]butan-2-ol
OpenEye OEToolkits	1.7.2	(2R,3S)-3-azanyl-4-phenyl-1-(3-phenylpropylamino)butan-2-ol

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	OC(C(N)Cc1ccccc1)CNCCCc2ccccc2
InChI	InChI	1.03	InChI=1S/C19H26N2O/c20-18(14-17-10-5-2-6-11-17)19(22)15-21-13-7-12-16-8-3-1-4-9-16/h1-6,8-11,18-19,21-22H,7,12-15,20H2/t18-,19+/m0/s1
InChIKey	InChI	1.03	NRTSLRUGZPIIHM-RBUKOAKNSA-N
SMILES_CANONICAL	CACTVS	3.370	N[C@@H](Cc1ccccc1)[C@H](O)CNCCCc2ccccc2
SMILES	CACTVS	3.370	N[CH](Cc1ccccc1)[CH](O)CNCCCc2ccccc2
SMILES_CANONICAL	OpenEye OEToolkits	1.7.2	c1ccc(cc1)CCCNC[C@H]([C@H](Cc2ccccc2)N)O
SMILES	OpenEye OEToolkits	1.7.2	c1ccc(cc1)CCCNCC(C(Cc2ccccc2)N)O

227344

PDB entries from 2024-11-13

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