Chemical Properties of Valine-glutamine-tryptophan-leucine, N(«alpha»,«epsilon»)-trifluoroacetyl-N-O-permethyl derivative

Valine-glutamine-tryptophan-leucine, N(«alpha»,«epsilon»)-trifluoroacetyl-N-O-permethyl derivative

InChI
InChI=1S/C38H52F6N6O8/c1-21(2)18-28(34(55)58-11)48(8)32(53)27(19-23-20-45(5)25-15-13-12-14-24(23)25)47(7)31(52)26(16-17-29(51)49(9)35(56)37(39,40)41)46(6)33(54)30(22(3)4)50(10)36(57)38(42,43)44/h12-15,20-22,26-28,30H,16-19H2,1-11H3
InChI Key
NCFZVNIXEYBEPL-UHFFFAOYSA-N
Formula
C38H52F6N6O8
SMILES
COC(=O)C(CC(C)C)N(C)C(=O)C(Cc1cn(C)c2ccccc12)N(C)C(=O)C(CCC(=O)N(C)C(=O)C(F)(F)F)N(C)C(=O)C(C(C)C)N(C)C(=O)C(F)(F)F
Molecular Weight1
834.85
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Physical Properties

Property Value Unit Source
ω 1.4298 Relay (1.0) Calculated Property
ΔfG° -1052.73 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -2624.94 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 163.66 kJ/mol Relay (1.0) Calculated Property
IE 8.08 eV Relay (1.0) Calculated Property
log10WS -5.24 Relay (1.0) Calculated Property
logPoct/wat 3.794 Crippen Calculated Property
McVol 594.720 ml/mol McGowan Calculated Property
Pc -651.21 kPa Relay (1.0-beta) Calculated Property
Inp [4282.00; 4363.00]   Show Hide
Inp 4282.00 NIST
Inp 4363.00 NIST
Tboil 792.56 K Relay (1.0) Calculated Property
Tc 1092.40 K Relay (1.0) Calculated Property
Tfus 412.15 K Relay (1.0) Calculated Property
Vc 2.086 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

Nalmefene. Strychnine. 3-O,6-O,N-Triacetylnormorphine. Benzylmorphine. Nicocodine. Buprenorphine. Dihydroergokryptine. Crinan-11-ol, 1,2-didehydro-3-methoxy-, (3«beta»,5«alpha»,11R,13«beta»,19«alpha»)-. [2,2'-Bimorphinan]-3,3',6,6'-tetrol, 7,7',8,8'-tetradehydro-4,5:4',5'-diepoxy-17,17'-dimethyl-, (5«alpha»,6«alpha»)-(5'«alpha»,6'«alpha»)-. Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5«alpha»,6«alpha»)-, bis(trifluoroacetate) (ester). Triazolo[4,5-d]pyrimidin-7-ol,3h-v-, 5-amino-3-(2',3'-o-isopropylidene-beta-d-ribofuranosyl)-, 5'-diphenyl phosphate (keto form). Deserpidine. Paclitaxel. Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'«alpha»,10«alpha»)-. Ergotamine.

Find more compounds similar to Valine-glutamine-tryptophan-leucine, N(«alpha»,«epsilon»)-trifluoroacetyl-N-O-permethyl derivative.

Sources

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