CAS 13139-14-5|boc-tryptophan|N-Boc-L-Tryptophan|(2S)-2-[(tert-butoxycarbonyl)amino]-3-(1H-indol-3-yl)propanoic acid|(2S)-2-{[(tert-butoxy)carbonyl]amino}-3-(1H-indol-3-yl)propanoic acid|(2S)-2-{[(t...

General Information

Structure

Molecular Formula

C₁₆H₂₀N₂O₄

Molecular Mass

304.341

Exact Mass

304.14230713

Charge

InChI

InChI=1S/C16H20N2O4/c1-16(2,3)22-15(21)18-13(14(19)20)8-10-9-17-12-7-5-4-6-11(10)12/h4-7,9,13,17H,8H2,1-3H3,(H,18,21)(H,19,20)/t13-/m0/s1

InChIKey

NFVNYBJCJGKVQK-ZDUSSCGKSA-N

Canonic Smiles

O=C(OC(C)(C)C)N[C@H](C(=O)O)Cc1c[nH]c2c1cccc2

Isomeric Smiles

c1(c[nH]c2c1cccc2)C[C@H](NC(=O)OC(C)(C)C)C(=O)O

Calculated Properties

JChem

Acid pKa

4.1291847

H Acceptors

H Donor

LogD (pH = 5.5)

1.2825541

LogD (pH = 7.4)

-0.41189218

Log P

2.6684744

Molar Refractivity

81.0758

Polarizability

32.673122

Polar Surface Area

91.42

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

N-Boc-L-Tryptophan(2S)-2-{[(tert-butoxy)carbonyl]amino}-3-(1H-indol-3-yl)propanoic acidN-(tert-Butoxycarbonyl)-L-tryptophanBoc-Trp-OHNα-(tert-Butoxycarbonyl)-L-tryptophanN(alpha)-tert-Butoxycarbonyl-L-tryptophanN-(α)-Boc-L-色氨酸N(alpha)-Boc-L-tryptophanNα-(叔丁氧羰基)-L-色氨酸Nα-Boc-L-色氨酸Boc-Trp-OHNα-Boc-L-tryptophan

IUPAC Traditional name

boc-tryptophan (2S)-2-[(tert-butoxycarbonyl)amino]-3-(1H-indol-3-yl)propanoic acid

IUPAC name

(2S)-2-{[(tert-butoxy)carbonyl]amino}-3-(1H-indol-3-yl)propanoic acid

Names and Identifiers

Registration numbers

MDL Number

MFCD00065595

CAS Number

13139-14-5

Beilstein Number

39677