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0PC

Summary
Name:Nalpha-[(benzyloxy)carbonyl]-N-[(1S)-3-chloro-1-methyl-2-oxopropyl]-L-phenylalaninamide
Synonyms:ZPACK
Formula:C21 H23 Cl N2 O4
Formal charge:0
Formula weight:402.871 Da
Component type:peptide-like

Chemical Identifiers

ProgramVersionName
ACDLabs12.01Nalpha-[(benzyloxy)carbonyl]-N-[(2S)-4-chloro-3-oxobutan-2-yl]-L-phenylalaninamide
OpenEye OEToolkits1.7.0phenylmethyl N-[(2S)-1-[[(2S)-4-chloro-3-oxo-butan-2-yl]amino]-1-oxo-3-phenyl-propan-2-yl]carbamate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01ClCC(=O)C(NC(=O)C(NC(=O)OCc1ccccc1)Cc2ccccc2)C
SMILES_CANONICALCACTVS3.370C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc2ccccc2)C(=O)CCl
SMILESCACTVS3.370C[CH](NC(=O)[CH](Cc1ccccc1)NC(=O)OCc2ccccc2)C(=O)CCl
SMILES_CANONICALOpenEye OEToolkits1.7.0C[C@@H](C(=O)CCl)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc2ccccc2
SMILESOpenEye OEToolkits1.7.0CC(C(=O)CCl)NC(=O)C(Cc1ccccc1)NC(=O)OCc2ccccc2
InChIInChI1.03InChI=1S/C21H23ClN2O4/c1-15(19(25)13-22)23-20(26)18(12-16-8-4-2-5-9-16)24-21(27)28-14-17-10-6-3-7-11-17/h2-11,15,18H,12-14H2,1H3,(H,23,26)(H,24,27)/t15-,18-/m0/s1
InChIKeyInChI1.03YAWCSFNDFRSZKD-YJBOKZPZSA-N

218853

PDB entries from 2024-04-24

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