IN6

N-[2-[1-(N-BENZYLOXYCARBONYLAMINO)-3-METHYLBUTYL]THIAZOL-4-YLCARBONYL]-N'-(BENZYLOXYCARBONYL-L-LEUCINYL)HYDRAZIDE


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Chemical Component Summary

NameN-[2-[1-(N-BENZYLOXYCARBONYLAMINO)-3-METHYLBUTYL]THIAZOL-4-YLCARBONYL]-N'-(BENZYLOXYCARBONYL-L-LEUCINYL)HYDRAZIDE
Identifiersphenylmethyl N-[(1S)-3-methyl-1-[4-[[[(2S)-4-methyl-2-phenylmethoxycarbonylamino-pentanoyl]amino]carbamoyl]-1,3-thiazol-2-yl]butyl]carbamate
FormulaC31 H39 N5 O6 S
Molecular Weight609.736
TypeNON-POLYMER
Isomeric SMILESCC(C)C[C@@H](c1nc(cs1)C(=O)NNC(=O)[C@H](CC(C)C)NC(=O)OCc2ccccc2)NC(=O)OCc3ccccc3
InChIInChI=1S/C31H39N5O6S/c1-20(2)15-24(33-30(39)41-17-22-11-7-5-8-12-22)27(37)35-36-28(38)26-19-43-29(32-26)25(16-21(3)4)34-31(40)42-18-23-13-9-6-10-14-23/h5-14,19-21,24-25H,15-18H2,1-4H3,(H,33,39)(H,34,40)(H,35,37)(H,36,38)/t24-,25-/m0/s1
InChIKeyFNMSKYFYFLZDOO-DQEYMECFSA-N

Chemical Details

Formal Charge0
Atom Count82
Chiral Atom Count2
Bond Count84
Aromatic Bond Count17

Related Resource References

Resource NameReference
Pharos CHEMBL57836
PubChem 5288633
ChEMBL CHEMBL57836