ISDA: 1DJP

DO2

Structural Complex

Chemical ID: DO2

IUPAC Name: 5,5-dihydroxy-6-oxo-L-norleucine

Formal Charge: 0

Type: L-PEPTIDE LINKING

Physiochemical Descriptor:

Formula: C6 H11 N O5

Molecular weight: 177.155

Hydrogen Bond Acceptor: 6

Hydrogen Bond Donor: 4

Rotatable Bonds: 8

Heavy Atoms: 12

Systematic name

Program	Version	Descriptor
ACDLabs	12.01	5,5-dihydroxy-6-oxo-L-norleucine
OpenEye OEToolkits	1.7.0	(2S)-2-azanyl-5,5-dihydroxy-6-oxo-hexanoic acid

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=CC(O)(O)CCC(N)C(=O)O
SMILES_CANONICAL	CACTVS	3.370	N[C@@H](CCC(O)(O)C=O)C(O)=O
SMILES	CACTVS	3.370	N[CH](CCC(O)(O)C=O)C(O)=O
SMILES_CANONICAL	OpenEye OEToolkits	1.7.0	C(CC(C=O)(O)O)[C@@H](C(=O)O)N
SMILES	OpenEye OEToolkits	1.7.0	C(CC(C=O)(O)O)C(C(=O)O)N
InChI	InChI	1.03	InChI=1S/C6H11NO5/c7-4(5(9)10)1-2-6(11,12)3-8/h3-4,11-12H,1-2,7H2,(H,9,10)/t4-/m0/s1
InChIKey	InChI	1.03	GRXWCZHHLRJOLV-BYPYZUCNSA-N

Chemical Database Mapping

Database	Reference ID
PubChem	137349189
ZINC	ZINC000098208807