Chemical Components in the PDB

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DC0 : Summary

Code

DC0

One-letter code

X

Molecule name

N-[(2S)-2-amino-4-methylpentyl]-L-phenylalanine

Systematic names

ProgramVersionName
ACDLabs 12.01 N-[(2S)-2-amino-4-methylpentyl]-L-phenylalanine
OpenEye OEToolkits 1.7.0 (2S)-2-[[(2S)-2-azanyl-4-methyl-pentyl]amino]-3-phenyl-propanoic acid

Formula

C15 H24 N2 O2

Formal charge

0

Molecular weight

264.363 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(O)C(NCC(N)CC(C)C)Cc1ccccc1
SMILES CACTVS 3.370 CC(C)C[CH](N)CN[CH](Cc1ccccc1)C(O)=O
SMILES OpenEye OEToolkits 1.7.0 CC(C)CC(CNC(Cc1ccccc1)C(=O)O)N
Canonical SMILES CACTVS 3.370 CC(C)C[C@H](N)CN[C@@H](Cc1ccccc1)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.0 CC(C)C[C@@H](CN[C@@H](Cc1ccccc1)C(=O)O)N

IUPAC InChI

InChI=1S/C15H24N2O2/c1-11(2)8-13(16)10-17-14(15(18)19)9-12-6-4-3-5-7-12/h3-7,11,13-14,17H,8-10,16H2,1-2H3,(H,18,19)/t13-,14-/m0/s1

IUPAC InChI key

ZTDJCNPVROYUSY-KBPBESRZSA-N
DC0

wwPDB Information

Atom count

43 (19 without Hydrogen)

Polymer type

Bound ligand

Type description

peptide-like

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2010-10-09

Last modified at

2023-11-03

Status

Released

Obsoleted

Not Assigned