RX3

N-({(1S,2R)-2-[(S)-[(1R)-1-{[(BENZYLOXY)CARBONYL]AMINO}-2-PHENYLETHYL](HYDROXY)PHOSPHORYL]CYCLOPENTYL}CARBONYL)-L-TRYPT OPHAN


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Chemical Component Summary

NameN-({(1S,2R)-2-[(S)-[(1R)-1-{[(BENZYLOXY)CARBONYL]AMINO}-2-PHENYLETHYL](HYDROXY)PHOSPHORYL]CYCLOPENTYL}CARBONYL)-L-TRYPT OPHAN
SynonymsRXPA380
Identifiers(2S)-2-[[(1S)-2-[hydroxy-(2-phenyl-1-phenylmethoxycarbonylamino-ethyl)phosphoryl]cyclopentyl]carbonylamino]-3-(1H-indol-3-yl)propanoic acid
FormulaC33 H36 N3 O7 P
Molecular Weight617.629
TypeNON-POLYMER
Isomeric SMILESc1ccc(cc1)CC(NC(=O)OCc2ccccc2)[P@](=O)(C3CCC[C@H]3C(=O)N[C@@H](Cc4c[nH]c5c4cccc5)C(=O)O)O
InChIInChI=1S/C33H36N3O7P/c37-31(35-28(32(38)39)19-24-20-34-27-16-8-7-14-25(24)27)26-15-9-17-29(26)44(41,42)30(18-22-10-3-1-4-11-22)36-33(40)43-21-23-12-5-2-6-13-23/h1-8,10-14,16,20,26,28-30,34H,9,15,17-19,21H2,(H,35,37)(H,36,40)(H,38,39)(H,41,42)/t26-,28+,29-,30-/m1/s1
InChIKeyIMPJIKIXNAGRCR-RRFVUZEHSA-N

Chemical Details

Formal Charge0
Atom Count80
Chiral Atom Count3
Bond Count84
Aromatic Bond Count22

Related Resource References

Resource NameReference
Pharos CHEMBL571716
PubChem 45485266
ChEMBL CHEMBL571716