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Summary

Name:O-methyl-N-[(2S)-4-methyl-2-(sulfanylmethyl)pentanoyl]-L-tyrosine
Formula:C17 H25 N O4 S
Formal charge:0
Molecular weight:339.45 Da
Component type:peptide-like

Chemical Identifiers

ProgramVersionName
ACDLabs12.01O-methyl-N-[(2S)-4-methyl-2-(sulfanylmethyl)pentanoyl]-L-tyrosine
OpenEye OEToolkits1.7.0(2S)-3-(4-methoxyphenyl)-2-[[(2S)-4-methyl-2-(sulfanylmethyl)pentanoyl]amino]propanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(O)C(NC(=O)C(CC(C)C)CS)Cc1ccc(OC)cc1
SMILES_CANONICALCACTVS3.370COc1ccc(C[C@H](NC(=O)[C@@H](CS)CC(C)C)C(O)=O)cc1
SMILESCACTVS3.370COc1ccc(C[CH](NC(=O)[CH](CS)CC(C)C)C(O)=O)cc1
SMILES_CANONICALOpenEye OEToolkits1.7.0CC(C)C[C@H](CS)C(=O)N[C@@H](Cc1ccc(cc1)OC)C(=O)O
SMILESOpenEye OEToolkits1.7.0CC(C)CC(CS)C(=O)NC(Cc1ccc(cc1)OC)C(=O)O
InChIInChI1.03InChI=1S/C17H25NO4S/c1-11(2)8-13(10-23)16(19)18-15(17(20)21)9-12-4-6-14(22-3)7-5-12/h4-7,11,13,15,23H,8-10H2,1-3H3,(H,18,19)(H,20,21)/t13-,15+/m1/s1
InChIKeyInChI1.03PRPWYZNFKBFGFI-HIFRSBDPSA-N
171916
PDB entries from 2020-12-02