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0S5

Summary
Name:N-benzoyl-1-[(2R)-3-cyclopentyl-2-{[formyl(hydroxy)amino]methyl}propanoyl]-L-prolinamide
Formula:C22 H29 N3 O5
Formal charge:0
Formula weight:415.483 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-benzoyl-1-[(2R)-3-cyclopentyl-2-{[formyl(hydroxy)amino]methyl}propanoyl]-L-prolinamide
OpenEye OEToolkits1.7.6(2S)-1-[(2R)-2-(cyclopentylmethyl)-3-[methanoyl(oxidanyl)amino]propanoyl]-N-(phenylcarbonyl)pyrrolidine-2-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(NC(=O)c1ccccc1)C3N(C(=O)C(CC2CCCC2)CN(O)C=O)CCC3
InChIInChI1.03InChI=1S/C22H29N3O5/c26-15-24(30)14-18(13-16-7-4-5-8-16)22(29)25-12-6-11-19(25)21(28)23-20(27)17-9-2-1-3-10-17/h1-3,9-10,15-16,18-19,30H,4-8,11-14H2,(H,23,27,28)/t18-,19+/m1/s1
InChIKeyInChI1.03JPSWIPZHYDYDLN-MOPGFXCFSA-N
SMILES_CANONICALCACTVS3.370ON(C[C@@H](CC1CCCC1)C(=O)N2CCC[C@H]2C(=O)NC(=O)c3ccccc3)C=O
SMILESCACTVS3.370ON(C[CH](CC1CCCC1)C(=O)N2CCC[CH]2C(=O)NC(=O)c3ccccc3)C=O
SMILES_CANONICALOpenEye OEToolkits1.7.6c1ccc(cc1)C(=O)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC3CCCC3)CN(C=O)O
SMILESOpenEye OEToolkits1.7.6c1ccc(cc1)C(=O)NC(=O)C2CCCN2C(=O)C(CC3CCCC3)CN(C=O)O

222415

PDB entries from 2024-07-10

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