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IAV

Summary
Name:N-[1H-INDOL-3-YL-ACETYL]VALINE ACID
Formula:C15 H18 N2 O3
Formal charge:0
Formula weight:274.315 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04N-(1H-indol-3-ylacetyl)-L-valine
OpenEye OEToolkits1.5.0(2S)-2-[2-(1H-indol-3-yl)ethanoylamino]-3-methyl-butanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(O)C(NC(=O)Cc2c1ccccc1nc2)C(C)C
SMILES_CANONICALCACTVS3.341CC(C)[C@H](NC(=O)Cc1c[nH]c2ccccc12)C(O)=O
SMILESCACTVS3.341CC(C)[CH](NC(=O)Cc1c[nH]c2ccccc12)C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.5.0CC(C)[C@@H](C(=O)O)NC(=O)Cc1c[nH]c2c1cccc2
SMILESOpenEye OEToolkits1.5.0CC(C)C(C(=O)O)NC(=O)Cc1c[nH]c2c1cccc2
InChIInChI1.03InChI=1S/C15H18N2O3/c1-9(2)14(15(19)20)17-13(18)7-10-8-16-12-6-4-3-5-11(10)12/h3-6,8-9,14,16H,7H2,1-2H3,(H,17,18)(H,19,20)/t14-/m0/s1
InChIKeyInChI1.03AZEGJHGXTSUPPG-AWEZNQCLSA-N

221051

PDB entries from 2024-06-12

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