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1B0

Summary
Name:N-METHYL-NALPHA-[(2-METHYL-1H-INDOL-3-YL)ACETYL]-N-PHENYL-L-PHENYLALANINAMIDE
Formula:C27 H27 N3 O2
Formal charge:0
Formula weight:425.522 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs10.04N-methyl-Nalpha-[(2-methyl-1H-indol-3-yl)acetyl]-N-phenyl-L-phenylalaninamide
OpenEye OEToolkits1.6.1(2S)-N-methyl-2-[2-(2-methyl-1H-indol-3-yl)ethanoylamino]-N,3-diphenyl-propanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(N(c1ccccc1)C)C(NC(=O)Cc3c2ccccc2nc3C)Cc4ccccc4
SMILES_CANONICALCACTVS3.352CN(C(=O)[C@H](Cc1ccccc1)NC(=O)Cc2c(C)[nH]c3ccccc23)c4ccccc4
SMILESCACTVS3.352CN(C(=O)[CH](Cc1ccccc1)NC(=O)Cc2c(C)[nH]c3ccccc23)c4ccccc4
SMILES_CANONICALOpenEye OEToolkits1.6.1Cc1c(c2ccccc2[nH]1)CC(=O)N[C@@H](Cc3ccccc3)C(=O)N(C)c4ccccc4
SMILESOpenEye OEToolkits1.6.1Cc1c(c2ccccc2[nH]1)CC(=O)NC(Cc3ccccc3)C(=O)N(C)c4ccccc4
InChIInChI1.03InChI=1S/C27H27N3O2/c1-19-23(22-15-9-10-16-24(22)28-19)18-26(31)29-25(17-20-11-5-3-6-12-20)27(32)30(2)21-13-7-4-8-14-21/h3-16,25,28H,17-18H2,1-2H3,(H,29,31)/t25-/m0/s1
InChIKeyInChI1.03ACDFWSNAQWFRRF-VWLOTQADSA-N

221716

PDB entries from 2024-06-26

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