CAS 7432-21-5|CAS 2279-15-4|(2S)-2-{[(benzyloxy)carbonyl]amino}-3-(1H-indol-3-yl)propanoic acid|CARBOBENZOXY-L-TRYPTOPHAN|(2S)-2-{[(benzyloxy)carbonyl]amino}-3-(1H-indol-3-yl)propanoic acid|Nα-苄氧...

General Information

Structure

Molecular Formula

C₁₉H₁₈N₂O₄

Molecular Mass

338.35722

Exact Mass

338.12665707

Charge

InChI

InChI=1S/C19H18N2O4/c22-18(23)17(10-14-11-20-16-9-5-4-8-15(14)16)21-19(24)25-12-13-6-2-1-3-7-13/h1-9,11,17,20H,10,12H2,(H,21,24)(H,22,23)/t17-/m0/s1

InChIKey

AHYFYYVVAXRMKB-KRWDZBQOSA-N

Canonic Smiles

O=C(N[C@H](C(=O)O)Cc1c[nH]c2c1cccc2)OCc1ccccc1

Isomeric Smiles

c1(c[nH]c2c1cccc2)C[C@H](NC(=O)OCc1ccccc1)C(=O)O

Calculated Properties

JChem

Acid pKa

3.962492

H Acceptors

H Donor

LogD (pH = 5.5)

1.7934636

LogD (pH = 7.4)

0.15880096

Log P

3.3389878

Molar Refractivity

91.8828

Polarizability

36.733925

Polar Surface Area

91.42

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

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

Synonyms

CARBOBENZOXY-L-TRYPTOPHANNα-苄氧羰基-L-色氨酸N-Cbz-L-色氨酸Z-Trp-OHZ-L-色氨酸Z-L-tryptophanN-Cbz-L-tryptophanNα-Carbobenzyloxy-L-tryptophanZ-Trp-OHN-CBZ-L-TRYPTOPHANN(alpha)-Benzyloxycarbonyl-L-tryptophanN(α)-苄氧羰基-L-色氨酸N(alpha)-Cbz-L-tryptophanN-[(Benzyloxy)carbonyl]-L-tryptophan

IUPAC name

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

Names and Identifiers

Registration numbers

CAS Number

EC Number

MDL Number

PubChem SID