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

TR0

Summary

Name:	(4R)-N-(BIPHENYL-4-YLMETHYL)-4-HYDROXY-1-[(3-METHYLISOXAZOL-5-YL)ACETYL]-L-PROLINAMIDE
Formula:	C24 H25 N3 O4
Formal charge:	0
Formula weight:	419.473 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(4R)-N-(biphenyl-4-ylmethyl)-4-hydroxy-1-[(3-methyl-1,2-oxazol-5-yl)acetyl]-L-prolinamide
OpenEye OEToolkits	1.9.2	(2S,4R)-1-[2-(3-methyl-1,2-oxazol-5-yl)ethanoyl]-4-oxidanyl-N-[(4-phenylphenyl)methyl]pyrrolidine-2-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(N3C(C(=O)NCc2ccc(c1ccccc1)cc2)CC(O)C3)Cc4onc(c4)C
InChI	InChI	1.03	InChI=1S/C24H25N3O4/c1-16-11-21(31-26-16)13-23(29)27-15-20(28)12-22(27)24(30)25-14-17-7-9-19(10-8-17)18-5-3-2-4-6-18/h2-11,20,22,28H,12-15H2,1H3,(H,25,30)/t20-,22+/m1/s1
InChIKey	InChI	1.03	NRELVQVYPBFBDC-IRLDBZIGSA-N
SMILES_CANONICAL	CACTVS	3.385	Cc1cc(CC(=O)N2C[C@H](O)C[C@H]2C(=O)NCc3ccc(cc3)c4ccccc4)on1
SMILES	CACTVS	3.385	Cc1cc(CC(=O)N2C[CH](O)C[CH]2C(=O)NCc3ccc(cc3)c4ccccc4)on1
SMILES_CANONICAL	OpenEye OEToolkits	1.9.2	Cc1cc(on1)CC(=O)N2C[C@@H](C[C@H]2C(=O)NCc3ccc(cc3)c4ccccc4)O
SMILES	OpenEye OEToolkits	1.9.2	Cc1cc(on1)CC(=O)N2CC(CC2C(=O)NCc3ccc(cc3)c4ccccc4)O

222415

數據於2024-07-10公開中

PDB statistics

PDBj update info

Contact PDBj

numon