Loading
PDBj
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help

BAA

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

Chemical Identifiers

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

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(OC(C)(C)C)NC(C(=O)NC(C(=O)N)C)C
SMILES_CANONICALCACTVS3.341C[C@H](NC(=O)[C@H](C)NC(=O)OC(C)(C)C)C(N)=O
SMILESCACTVS3.341C[CH](NC(=O)[CH](C)NC(=O)OC(C)(C)C)C(N)=O
SMILES_CANONICALOpenEye OEToolkits1.5.0C[C@@H](C(=O)N)NC(=O)[C@H](C)NC(=O)OC(C)(C)C
SMILESOpenEye OEToolkits1.5.0CC(C(=O)N)NC(=O)C(C)NC(=O)OC(C)(C)C
InChIInChI1.03InChI=1S/C11H21N3O4/c1-6(8(12)15)13-9(16)7(2)14-10(17)18-11(3,4)5/h6-7H,1-5H3,(H2,12,15)(H,13,16)(H,14,17)/t6-,7-/m0/s1
InChIKeyInChI1.03OAXZAMSRJZWMEV-BQBZGAKWSA-N

222415

PDB entries from 2024-07-10

PDB statisticsPDBj update infoContact PDBjnumon