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G74

Summary
Name:ETHYL (4R)-4-[(TERT-BUTOXYCARBONYL)AMINO]-5-[(3S)-2-OXOPYRROLIDIN-3-YL]PENTANOATE
Formula:C16 H28 N2 O5
Formal charge:0
Formula weight:328.404 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01ethyl (4R)-4-[(tert-butoxycarbonyl)amino]-5-[(3S)-2-oxopyrrolidin-3-yl]pentanoate
OpenEye OEToolkits1.9.2ethyl (4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-[(3S)-2-oxidanylidenepyrrolidin-3-yl]pentanoate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(OCC)CCC(NC(=O)OC(C)(C)C)CC1C(=O)NCC1
InChIInChI1.03InChI=1S/C16H28N2O5/c1-5-22-13(19)7-6-12(10-11-8-9-17-14(11)20)18-15(21)23-16(2,3)4/h11-12H,5-10H2,1-4H3,(H,17,20)(H,18,21)/t11-,12+/m0/s1
InChIKeyInChI1.03VOUMGEIBLJTQJX-NWDGAFQWSA-N
SMILES_CANONICALCACTVS3.385CCOC(=O)CC[C@H](C[C@@H]1CCNC1=O)NC(=O)OC(C)(C)C
SMILESCACTVS3.385CCOC(=O)CC[CH](C[CH]1CCNC1=O)NC(=O)OC(C)(C)C
SMILES_CANONICALOpenEye OEToolkits1.9.2CCOC(=O)CC[C@H](C[C@@H]1CCNC1=O)NC(=O)OC(C)(C)C
SMILESOpenEye OEToolkits1.9.2CCOC(=O)CCC(CC1CCNC1=O)NC(=O)OC(C)(C)C

222415

PDB entries from 2024-07-10

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