Chemical Components in the PDB

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NCB : Summary

Code

NCB

One-letter code

A

Molecule name

N-CARBAMOYL-ALANINE

Systematic names

ProgramVersionName
ACDLabs 10.04 N-carbamoyl-D-alanine
OpenEye OEToolkits 1.5.0 (2R)-2-(aminocarbonylamino)propanoic acid

Formula

C4 H8 N2 O3

Formal charge

0

Molecular weight

132.118 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(O)C(NC(=O)N)C
SMILES CACTVS 3.341 C[CH](NC(N)=O)C(O)=O
SMILES OpenEye OEToolkits 1.5.0 CC(C(=O)O)NC(=O)N
Canonical SMILES CACTVS 3.341 C[C@@H](NC(N)=O)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 C[C@H](C(=O)O)NC(=O)N

IUPAC InChI

InChI=1S/C4H8N2O3/c1-2(3(7)8)6-4(5)9/h2H,1H3,(H,7,8)(H3,5,6,9)/t2-/m1/s1

IUPAC InChI key

LUSWEUMSEVLFEQ-UWTATZPHSA-N
NCB

wwPDB Information

Atom count

17 (9 without Hydrogen)

Polymer type

Amino Acid

Type description

L-PEPTIDE LINKING

Type code

ATOMP

Is modified

Yes

Standard parent

ALA

Defined at

1999-10-10

Last modified at

2023-11-03

Status

Released

Obsoleted

Not Assigned