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

NSU

Summary

Name:	N-[(3R,4R)-4-aminooxolan-3-yl]-N-[(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetyl]glycine
Formula:	C13 H18 N4 O6
Formal charge:	0
Formula weight:	326.305 Da
Component type:	peptide-like

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	N-[(3R,4R)-4-aminooxolan-3-yl]-N-[(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetyl]glycine
OpenEye OEToolkits	2.0.7	2-[[(3~{R},4~{R})-4-azanyloxolan-3-yl]-[2-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]ethanoyl]amino]ethanoic acid

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	OC(=O)CN(C1COCC1N)C(=O)CN1C=C(C)C(=O)NC1=O
InChI	InChI	1.03	InChI=1S/C13H18N4O6/c1-7-2-16(13(22)15-12(7)21)3-10(18)17(4-11(19)20)9-6-23-5-8(9)14/h2,8-9H,3-6,14H2,1H3,(H,19,20)(H,15,21,22)/t8-,9-/m0/s1
InChIKey	InChI	1.03	VRGRCASITUVCPS-IUCAKERBSA-N
SMILES_CANONICAL	CACTVS	3.385	CC1=CN(CC(=O)N(CC(O)=O)[C@H]2COC[C@@H]2N)C(=O)NC1=O
SMILES	CACTVS	3.385	CC1=CN(CC(=O)N(CC(O)=O)[CH]2COC[CH]2N)C(=O)NC1=O
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CC1=CN(C(=O)NC1=O)CC(=O)N(CC(=O)O)[C@H]2COC[C@@H]2N
SMILES	OpenEye OEToolkits	2.0.7	CC1=CN(C(=O)NC1=O)CC(=O)N(CC(=O)O)C2COCC2N

223532

PDB entries from 2024-08-07

PDB statistics

PDBj update info

Contact PDBj

numon