CO9

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Summary

Name:1-({2-[(1S)-1-AMINOETHYL]-1,3-OXAZOL-4-YL}CARBONYL)-L-PROLYL-L-TRYPTOPHAN
Formula:C22 H25 N5 O5
Formal charge:0
Molecular weight:439.464 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.041-({2-[(1S)-1-aminoethyl]-1,3-oxazol-4-yl}carbonyl)-L-prolyl-L-tryptophan
OpenEye OEToolkits1.5.0(2S)-2-[[(2S)-1-[[2-[(1S)-1-aminoethyl]-1,3-oxazol-4-yl]carbonyl]pyrrolidin-2-yl]carbonylamino]-3-(1H-indol-3-yl)propanoic acid

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=C(c1nc(oc1)C(N)C)N4C(C(=O)NC(C(=O)O)Cc3c2ccccc2nc3)CCC4
SMILES_CANONICALCACTVS3.341C[C@H](N)c1occ(n1)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(O)=O
SMILESCACTVS3.341C[CH](N)c1occ(n1)C(=O)N2CCC[CH]2C(=O)N[CH](Cc3c[nH]c4ccccc34)C(O)=O
SMILES_CANONICALOpenEye OEToolkits1.5.0C[C@@H](c1nc(co1)C(=O)N2CCC[C@H]2C(=O)N[C@@H](Cc3c[nH]c4c3cccc4)C(=O)O)N
SMILESOpenEye OEToolkits1.5.0CC(c1nc(co1)C(=O)N2CCCC2C(=O)NC(Cc3c[nH]c4c3cccc4)C(=O)O)N
InChIInChI1.03InChI=1S/C22H25N5O5/c1-12(23)20-26-17(11-32-20)21(29)27-8-4-7-18(27)19(28)25-16(22(30)31)9-13-10-24-15-6-3-2-5-14(13)15/h2-3,5-6,10-12,16,18,24H,4,7-9,23H2,1H3,(H,25,28)(H,30,31)/t12-,16-,18-/m0/s1
InChIKeyInChI1.03FBRCDLGEWAXPMI-IWEFOYFVSA-N