Chemical Components in the PDB

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1HD : Summary

Code

1HD

One-letter code

X

Molecule name

N-[(2S)-2-amino-3-hydroxypropyl]acetamide

Systematic names

ProgramVersionName
ACDLabs 12.01 N-[(2S)-2-amino-3-hydroxypropyl]acetamide
OpenEye OEToolkits 1.7.6 N-[(2S)-2-azanyl-3-oxidanyl-propyl]ethanamide

Formula

C5 H12 N2 O2

Formal charge

0

Molecular weight

132.161 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(NCC(N)CO)C
SMILES CACTVS 3.370 CC(=O)NC[CH](N)CO
SMILES OpenEye OEToolkits 1.7.6 CC(=O)NCC(CO)N
Canonical SMILES CACTVS 3.370 CC(=O)NC[C@H](N)CO
Canonical SMILES OpenEye OEToolkits 1.7.6 CC(=O)NC[C@@H](CO)N

IUPAC InChI

InChI=1S/C5H12N2O2/c1-4(9)7-2-5(6)3-8/h5,8H,2-3,6H2,1H3,(H,7,9)/t5-/m0/s1

IUPAC InChI key

FGWRNRQRNIHEGV-YFKPBYRVSA-N
1HD

wwPDB Information

Atom count

21 (9 without Hydrogen)

Polymer type

Amino Acid

Type description

peptide-like

Type code

ATOMP

Is modified

No

Standard parent

Not Assigned

Defined at

2013-02-05

Last modified at

2013-02-15

Status

Released

Obsoleted

Not Assigned