Chemical Properties of L-Tryptophan, N(O,S)-ethoxycarbonyl, (S)-(+)-3-methyl-2-butyl ester

L-Tryptophan, N(O,S)-ethoxycarbonyl, (S)-(+)-3-methyl-2-butyl ester

InChI
InChI=1S/C22H30N2O6/c1-6-28-21(26)23-18(20(25)30-15(5)14(3)4)12-16-13-24(22(27)29-7-2)19-11-9-8-10-17(16)19/h8-11,13-15,18H,6-7,12H2,1-5H3,(H,23,26)/t15-,18?/m1/s1
InChI Key
IJUBFADZGYKUJR-NNJIEVJOSA-N
Formula
C22H30N2O6
SMILES
CCOC(=O)NC(Cc1cn(C(=O)OCC)c2ccccc12)C(=O)OC(C)C(C)C
Molecular Weight1
418.48
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Physical Properties

Property Value Unit Source
ω 1.0197 Relay (1.0) Calculated Property
ΔfG° -312.74 kJ/mol Relay (1.0-beta) Calculated Property
ΔfH°gas -1111.54 kJ/mol Relay (1.0) Calculated Property
ΔvapH° 123.25 kJ/mol Relay (1.0) Calculated Property
IE 8.50 eV Relay (1.0) Calculated Property
log10WS -4.42 Relay (1.0) Calculated Property
logPoct/wat 3.891 Crippen Calculated Property
McVol 324.200 ml/mol McGowan Calculated Property
Pc 992.23 kPa Relay (1.0-beta) Calculated Property
Inp [2664.80; 2664.80]   Show Hide
Inp 2664.80 NIST
Inp 2664.80 NIST
Tboil 697.81 K Relay (1.0) Calculated Property
Tc 962.22 K Relay (1.0) Calculated Property
Tfus 348.10 K Relay (1.0) Calculated Property
Vc 1.175 m3/kmol Relay (1.0) Calculated Property

Similar Compounds

D-Tryptophan, N(O,S)-ethoxycarbonyl, (S)-(+)-3-methyl-2-butyl ester. (2-Hydroxy-3-phenyl-1,2-dihydroquinoxalin-1-yl)phenyl(3-phenyl-1-benzyl-1,2-dihydroquinoxalin-2-yl)methane. 5-Hydroxytryptophan, ethoxycarbonylated, TBDMS # 2. Cinchonidine. Cinchonine. Tryptophan, ethoxycarbonylated, TBDMS. Mephenesin, 2-(N,N-dimethylaminomethyl)-ferroceneboronate. (1,S,2S,3R,5S)-(+)-Pinanediol, , 2-(N,N-dimethylaminomethyl)-ferroceneboronate. 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. Ergocristine.

Find more compounds similar to L-Tryptophan, N(O,S)-ethoxycarbonyl, (S)-(+)-3-methyl-2-butyl ester.

Sources

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