ChemComp-AR7: amino{[(4S)-4-amino-5,5-dihydroxypentyl]amino}methaniminium

Basic information

• Entry: Database: PDB chemical components / ID: AR7
• Name: Name: amino{[(4S)-4-amino-5,5-dihydroxypentyl]amino}methaniminium

Chemical information

Composition

Formula: C₆H₁₇N₄O₂ / Number of atoms: 29 / Formula weight: 177.225 / Formal charge: 1

Others

1bui

ARG

Type: peptide-like / PDB classification: HETAIN / One letter code: R / Three letter code: AR7 / Ideal coordinates details: Corina / Model coordinates PDB-ID: 1BUI / Parent comp.: ARG

History

Other modification	Sep 24, 2010
Other modification	Jan 12, 2011
Modify descriptor	Jun 4, 2011
Modify backbone	Nov 3, 2023

• External links: UniChem / ChemSpider / PubChem / Wikipedia search / Google search

Details

SMILES

• ACDLabs 12.01: OC(O)C(N)CCCN\C(=[NH2+])N
• CACTVS 3.370: N[CH](CCCNC(N)=[NH2+])C(O)O
• OpenEye OEToolkits 1.7.0: C(CC(C(O)O)N)CNC(=[NH2+])N

SMILES CANONICAL

• CACTVS 3.370: N[C@@H](CCCNC(N)=[NH2+])C(O)O
• OpenEye OEToolkits 1.7.0: C(C[C@@H](C(O)O)N)CNC(=[NH2+])N

InChI

• InChI 1.03: InChI=1S/C6H16N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4-5,11-12H,1-3,7H2,(H4,8,9,10)/p+1/t4-/m0/s1

InChIKey

• InChI 1.03: GJQTZIGWTNAHJO-BYPYZUCNSA-O

SYSTEMATIC NAME

• ACDLabs 12.01: amino{[(4S)-4-amino-5,5-dihydroxypentyl]amino}methaniminium
• OpenEye OEToolkits 1.7.0: [azanyl-[[(4S)-4-azanyl-5,5-dihydroxy-pentyl]amino]methylidene]azanium

PDB entries

No item found