Chemical Components in the PDB

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DPP : Summary

Code

DPP

One-letter code

A

Molecule name

DIAMINOPROPANOIC ACID

Systematic names

ProgramVersionName
ACDLabs 12.01 3-amino-L-alanine
OpenEye OEToolkits 1.7.2 (2S)-2,3-bis(azanyl)propanoic acid

Formula

C3 H8 N2 O2

Formal charge

0

Molecular weight

104.108 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(O)C(N)CN
SMILES CACTVS 3.370 NC[CH](N)C(O)=O
SMILES OpenEye OEToolkits 1.7.2 C(C(C(=O)O)N)N
Canonical SMILES CACTVS 3.370 NC[C@H](N)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.2 C([C@@H](C(=O)O)N)N

IUPAC InChI

InChI=1S/C3H8N2O2/c4-1-2(5)3(6)7/h2H,1,4-5H2,(H,6,7)/t2-/m0/s1

IUPAC InChI key

PECYZEOJVXMISF-REOHCLBHSA-N
DPP

wwPDB Information

Atom count

15 (7 without Hydrogen)

Polymer type

Amino Acid

Type description

L-PEPTIDE LINKING

Type code

ATOMP

Is modified

Yes

Standard parent

ALA

Defined at

1999-07-08

Last modified at

2011-07-21

Status

Released

Obsoleted

Not Assigned