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OP1

Summary
Name:1-[(1S)-4-carbamimidamido-1-carboxybutyl]-5-oxo-D-proline
Synonyms:Pyronopaline
Formula:C11 H18 N4 O5
Formal charge:0
Formula weight:286.284 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.011-[(1S)-4-carbamimidamido-1-carboxybutyl]-5-oxo-D-proline
OpenEye OEToolkits1.7.6(2R)-1-[(2S)-5-carbamimidamido-1-oxidanyl-1-oxidanylidene-pentan-2-yl]-5-oxidanylidene-pyrrolidine-2-carboxylic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)C(N1C(=O)CCC1C(=O)O)CCCNC(=[N@H])N
InChIInChI1.03InChI=1S/C11H18N4O5/c12-11(13)14-5-1-2-6(9(17)18)15-7(10(19)20)3-4-8(15)16/h6-7H,1-5H2,(H,17,18)(H,19,20)(H4,12,13,14)/t6-,7+/m0/s1
InChIKeyInChI1.03GTRMYGUJZGMZEF-NKWVEPMBSA-N
SMILES_CANONICALCACTVS3.385NC(=N)NCCC[C@H](N1[C@H](CCC1=O)C(O)=O)C(O)=O
SMILESCACTVS3.385NC(=N)NCCC[CH](N1[CH](CCC1=O)C(O)=O)C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.7.6[H]/N=C(\N)/NCCC[C@@H](C(=O)O)N1[C@H](CCC1=O)C(=O)O
SMILESOpenEye OEToolkits1.7.6C1CC(=O)N(C1C(=O)O)C(CCCNC(=N)N)C(=O)O

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건을2024-07-17부터공개중

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