DP9

L-N(OMEGA)-NITROARGININE-(4R)-AMINO-L-PROLINE AMIDE

Created:	2003-05-06
Last modified:	2011-06-04

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6 entries where DP9 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	45
Chiral Atom Count	3
Bond Count	45
Aromatic Bond Count	0

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Chemical Component Summary
Name	L-N(OMEGA)-NITROARGININE-(4R)-AMINO-L-PROLINE AMIDE
Systematic Name (OpenEye OEToolkits)	(2S,4R)-4-[[(2S)-2-amino-5-[(N-nitrocarbamimidoyl)amino]pentanoyl]amino]pyrrolidine-2-carboxamide
Formula	C₁₁ H₂₂ N₈ O₄
Molecular Weight	330.344
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(NC1CC(C(=O)N)NC1)C(N)CCCNC(=[N@H])N[N+]([O-])=O
SMILES	CACTVS	3.341	N[CH](CCCNC(=N)N[N+]([O-])=O)C(=O)N[CH]1CN[CH](C1)C(N)=O
SMILES	OpenEye OEToolkits	1.5.0	C1C(CNC1C(=O)N)NC(=O)C(CCCNC(=N)N[N+](=O)[O-])N
Canonical SMILES	CACTVS	3.341	N[C@@H](CCCNC(=N)N[N+]([O-])=O)C(=O)N[C@H]1CN[C@@H](C1)C(N)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	C1[C@H](CN[C@@H]1C(=O)N)NC(=O)[C@H](CCCNC(=N)N[N+](=O)[O-])N
InChI	InChI	1.03	InChI=1S/C11H22N8O4/c12-7(2-1-3-15-11(14)18-19(22)23)10(21)17-6-4-8(9(13)20)16-5-6/h6-8,16H,1-5,12H2,(H2,13,20)(H,17,21)(H3,14,15,18)/t6-,7+,8+/m1/s1
InChIKey	InChI	1.03	IUFRDGFKAVLPFZ-CSMHCCOUSA-N

Drug Info: DrugBank

DrugBank ID	DB02077
Name	L-N(omega)-nitroarginine-(4R)-amino-L-proline amide
Groups	experimental
Synonyms	L-N(omega)-nitroarginine-(4R)-amino-L-proline amide

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Nitric oxide synthase, endothelial	MGNLKSVAQEPGPPCGLGLGLGLGLCGKQGPATPAPEPSRAPASLLPPAP...	unknown
Nitric oxide synthase, brain	MEDHMFGVQQIQPNVISVRLFKRKVGGLGFLVKERVSKPPVIISDLIRGG...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682