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

SPB

Summary

Name:	4-(4-STYRYL-PHENYLCARBAMOYL)-BUTYRIC ACID
Synonyms:	5-OXO-5-({4-[(E)-2-PHENYLVINYL]PHENYL}AMINO)PENTANOIC ACID N-(TRANS-4-STILBENYL)-5-AMINO-5-OXO-PENTANOIC ACID
Formula:	C19 H19 N O3
Formal charge:	0
Formula weight:	309.359 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	10.04	5-oxo-5-({4-[(E)-2-phenylethenyl]phenyl}amino)pentanoic acid
OpenEye OEToolkits	1.5.0	5-oxo-5-[[4-[(E)-2-phenylethenyl]phenyl]amino]pentanoic acid

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(Nc1ccc(cc1)\C=C\c2ccccc2)CCCC(=O)O
SMILES_CANONICAL	CACTVS	3.341	OC(=O)CCCC(=O)Nc1ccc(cc1)/C=C/c2ccccc2
SMILES	CACTVS	3.341	OC(=O)CCCC(=O)Nc1ccc(cc1)C=Cc2ccccc2
SMILES_CANONICAL	OpenEye OEToolkits	1.5.0	c1ccc(cc1)\C=C\c2ccc(cc2)NC(=O)CCCC(=O)O
SMILES	OpenEye OEToolkits	1.5.0	c1ccc(cc1)C=Cc2ccc(cc2)NC(=O)CCCC(=O)O
InChI	InChI	1.03	InChI=1S/C19H19NO3/c21-18(7-4-8-19(22)23)20-17-13-11-16(12-14-17)10-9-15-5-2-1-3-6-15/h1-3,5-6,9-14H,4,7-8H2,(H,20,21)(H,22,23)/b10-9+
InChIKey	InChI	1.03	FTXJWRRYLLRFMG-MDZDMXLPSA-N

224931

PDB entries from 2024-09-11

PDB statistics

PDBj update info

Contact PDBj

numon