CXG

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Summary

Name:METHYL N-[(2S)-1-[2-[(4R)-5-[[(2S)-3,3-DIMETHYL-1-METHYLAMINO-1-OXO-BUTAN-2-YL]AMINO]-4-HYDROXY-5-OXO-4-(PHENYLMETHYL)PENTYL]-2-[(4-PHENYLPHENYL)METHYL]HYDRAZINYL]-3,3-DIMETHYL-1-OXO-BUTAN-2-YL]CARBAMATE
Formula:C40 H55 N5 O6
Formal charge:0
Molecular weight:701.895 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits1.6.1methyl N-[(2S)-1-[2-[(4R)-5-[[(2S)-3,3-dimethyl-1-methylamino-1-oxo-butan-2-yl]amino]-4-hydroxy-5-oxo-4-(phenylmethyl)pentyl]-2-[(4-phenylphenyl)methyl]hydrazinyl]-3,3-dimethyl-1-oxo-butan-2-yl]carbamate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILES_CANONICALCACTVS3.352CNC(=O)[C@@H](NC(=O)[C@@](O)(CCCN(Cc1ccc(cc1)c2ccccc2)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)Cc3ccccc3)C(C)(C)C
SMILESCACTVS3.352CNC(=O)[CH](NC(=O)[C](O)(CCCN(Cc1ccc(cc1)c2ccccc2)NC(=O)[CH](NC(=O)OC)C(C)(C)C)Cc3ccccc3)C(C)(C)C
SMILES_CANONICALOpenEye OEToolkits1.6.1CC(C)(C)[C@@H](C(=O)NC)NC(=O)[C@@](CCC[N@](Cc1ccc(cc1)c2ccccc2)NC(=O)[C@H](C(C)(C)C)NC(=O)OC)(Cc3ccccc3)O
SMILESOpenEye OEToolkits1.6.1CC(C)(C)C(C(=O)NC)NC(=O)C(CCCN(Cc1ccc(cc1)c2ccccc2)NC(=O)C(C(C)(C)C)NC(=O)OC)(Cc3ccccc3)O
InChIInChI1.03InChI=1S/C40H55N5O6/c1-38(2,3)32(34(46)41-7)42-36(48)40(50,26-28-16-11-9-12-17-28)24-15-25-45(44-35(47)33(39(4,5)6)43-37(49)51-8)27-29-20-22-31(23-21-29)30-18-13-10-14-19-30/h9-14,16-23,32-33,50H,15,24-27H2,1-8H3,(H,41,46)(H,42,48)(H,43,49)(H,44,47)/t32-,33-,40-/m1/s1
InChIKeyInChI1.03TXYBNSUGKNIMSP-UBNGCCFSSA-N