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BAF

Summary
Name:(TERT-BUTYLOXYCARBONYL)-ALANYL-AMINO ETHYL-FORMAMIDE
Formula:C11 H21 N3 O4
Formal charge:0
Formula weight:259.302 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04N~2~-(tert-butoxycarbonyl)-N-[(1S)-1-(formylamino)ethyl]-L-alaninamide
OpenEye OEToolkits1.5.0tert-butyl N-[(2S)-1-[[(1S)-1-formamidoethyl]amino]-1-oxo-propan-2-yl]carbamate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(OC(C)(C)C)NC(C(=O)NC(NC=O)C)C
SMILES_CANONICALCACTVS3.341C[C@@H](NC=O)NC(=O)[C@H](C)NC(=O)OC(C)(C)C
SMILESCACTVS3.341C[CH](NC=O)NC(=O)[CH](C)NC(=O)OC(C)(C)C
SMILES_CANONICALOpenEye OEToolkits1.5.0C[C@@H](C(=O)N[C@@H](C)NC=O)NC(=O)OC(C)(C)C
SMILESOpenEye OEToolkits1.5.0CC(C(=O)NC(C)NC=O)NC(=O)OC(C)(C)C
InChIInChI1.03InChI=1S/C11H21N3O4/c1-7(9(16)14-8(2)12-6-15)13-10(17)18-11(3,4)5/h6-8H,1-5H3,(H,12,15)(H,13,17)(H,14,16)/t7-,8-/m0/s1
InChIKeyInChI1.03MNUWNIQGBRBQRE-YUMQZZPRSA-N

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PDB entries from 2024-07-10

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