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02E

Summary
Name:(E,1S)-1-[dihydroxy(diphenoxy)-$l^{5}-phosphanyl]-4-methoxy-but-3-en-1-amine
Formula:C17 H22 N O5 P
Formal charge:0
Formula weight:351.334 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01[(1S,3E)-1-amino-4-methoxybut-3-en-1-yl](dihydroxy)diphenoxy-lambda~5~-phosphane
OpenEye OEToolkits1.7.0(E,1S)-1-[dihydroxy(diphenoxy)-$l^{5}-phosphanyl]-4-methoxy-but-3-en-1-amine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01OP(Oc1ccccc1)(Oc2ccccc2)(O)C(N)C\C=C\OC
SMILES_CANONICALCACTVS3.370CO\C=C\C[C@@H](N)[P](O)(O)(Oc1ccccc1)Oc2ccccc2
SMILESCACTVS3.370COC=CC[CH](N)[P](O)(O)(Oc1ccccc1)Oc2ccccc2
SMILES_CANONICALOpenEye OEToolkits1.7.0CO/C=C/C[C@@H](N)P(O)(O)(Oc1ccccc1)Oc2ccccc2
SMILESOpenEye OEToolkits1.7.0COC=CCC(N)P(O)(O)(Oc1ccccc1)Oc2ccccc2
InChIInChI1.03InChI=1S/C17H22NO5P/c1-21-14-8-13-17(18)24(19,20,22-15-9-4-2-5-10-15)23-16-11-6-3-7-12-16/h2-12,14,17,19-20H,13,18H2,1H3/b14-8+/t17-/m0/s1
InChIKeyInChI1.03UDSHKAAJKDFNDC-AAKUMTKESA-N

218853

PDB entries from 2024-04-24

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