2-(DIMETHYLAMINO)-N-(1-{[3-METHOXY-1-(2-{1-METHOXY-2-METHYL-2-[(2-PHENYLETHYL)CARBAMOYL]ETHYL}PYRROLIDIN-1-YL)-5-METHYL-1-OXOHEPTAN-4-YL](METHYL)CARBAMOYL}-2-METHYLPROPYL)-3-METHYLBUTANAMIDE

/static/temp/default.svg Search structure
Keyword(s): Human Metabolites
Molecule Category Free-form

Structure

InChI Key DZMVCVHATYROOS-ZBFGKEHZSA-N
Smiles CC[C@H](C)[C@@H]([C@@H](CC(=O)N1CCC[C@H]1[C@H](OC)[C@@H](C)C(=O)NCCc1ccccc1)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C)C(C)C
InChI
InChI=1S/C39H67N5O6/c1-13-27(6)35(43(10)39(48)33(25(2)3)41-38(47)34(26(4)5)42(8)9)31(49-11)24-32(45)44-23-17-20-30(44)36(50-12)28(7)37(46)40-22-21-29-18-15-14-16-19-29/h14-16,18-19,25-28,30-31,33-36H,13,17,20-24H2,1-12H3,(H,40,46)(H,41,47)/t27-,28+,30-,31+,33-,34-,35-,36+/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C39H67N5O6
Molecular Weight 701.51
AlogP 5.67
Hydrogen Bond Acceptor 7.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 20.0
Polar Surface Area 127.5
Heavy Atoms 50.0

Cross References

Resources Reference
CAS NUMBER 149606-27-9
NORMAN SUSDAT
PubChem 6918315
CONTENTS