ISDA: 9X51

Structural Complex

Chemical ID: WYK

IUPAC Name: (2S,4S)-4-hydroxy-L-arginine

Formal Charge: 0

Type: L-PEPTIDE LINKING

Physiochemical Descriptor:

Formula: C6 H14 N4 O3

Molecular weight: 190.200

Hydrogen Bond Acceptor: 5

Hydrogen Bond Donor: 6

Rotatable Bonds: 7

Heavy Atoms: 13

Systematic name

Program	Version	Descriptor
OpenEye OEToolkits	2.0.7	(2~{S},4~{S})-2-azanyl-5-carbamimidamido-4-oxidanyl-pentanoic acid

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.06	InChI=1S/C6H14N4O3/c7-4(5(12)13)1-3(11)2-10-6(8)9/h3-4,11H,1-2,7H2,(H,12,13)(H4,8,9,10)/t3-,4-/m0/s1
InChIKey	InChI	1.06	OPCBKDJCJYBGTQ-IMJSIDKUSA-N
SMILES_CANONICAL	CACTVS	3.385	N[C@@H](C[C@H](O)CNC(N)=N)C(O)=O
SMILES	CACTVS	3.385	N[CH](C[CH](O)CNC(N)=N)C(O)=O
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	[H]/N=C(/N)\NC[C@H](C[C@@H](C(=O)O)N)O
SMILES	OpenEye OEToolkits	2.0.7	C(C(CNC(=N)N)O)C(C(=O)O)N

Chemical Database Mapping

Database	Reference ID
PubChem	54162047
SureChEMBL	SCHEMBL5812527