CAS 1155-62-0|Z-Glu-OH|(2S)-2-{[(benzyloxy)carbonyl]amino}pentanedioic acid|(2S)-2-{[(benzyloxy)carbonyl]amino}pentanedioic acid|N-CBZ-L-GLUTAMIC ACID|CARBOBENZOXY-L-GLUTAMIC ACID|(S)-2-(((benzyloxy...

General Information

Structure

Molecular Formula

C₁₃H₁₅NO₆

Molecular Mass

281.2613

Exact Mass

281.08993721

Charge

InChI

InChI=1S/C13H15NO6/c15-11(16)7-6-10(12(17)18)14-13(19)20-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,14,19)(H,15,16)(H,17,18)/t10-/m0/s1

InChIKey

PVFCXMDXBIEMQG-JTQLQIEISA-N

Canonic Smiles

O=C(N[C@H](C(=O)O)CCC(=O)O)OCc1ccccc1

Isomeric Smiles

OC(=O)CC[C@H](NC(=O)OCc1ccccc1)C(=O)O

Calculated Properties

JChem

Acid pKa

3.3612714

H Acceptors

H Donor

LogD (pH = 5.5)

-2.3186991

LogD (pH = 7.4)

-5.3282924

Log P

1.2307489

Molar Refractivity

66.9677

Polarizability

26.296143

Polar Surface Area

112.93

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

Z-Glu-OHN-CBZ-L-GLUTAMIC ACIDCARBOBENZOXY-L-GLUTAMIC ACID(S)-2-(((benzyloxy)carbonyl)amino)pentanedioic acidN-苄氧羰基-L-谷氨酸苄氧羰基-L-谷氨酸Z-Glu-OHN-(Carbobenzyloxy)-L-glutamic acidZ-L-Glutamic acidBenzyloxycarbonyl-L-Glutamic AcidN-Carbobenzoxy-L-glutamic AcidNSC 555N-Carbobenzyloxy-L-glutamic AcidCarbobenzoxy-L-glutamic AcidN-CBz-L-Glutamic AcidN-[(Phenylmethoxy)carbonyl]-L-glutamic AcidN-苄氧羰基-L-谷氨酸N-Benzyloxycarbonyl-L-glutamic acidNSC 88494

IUPAC name

(2S)-2-{[(benzyloxy)carbonyl]amino}pentanedioic acid

IUPAC Traditional name

(2S)-2-{[(benzyloxy)carbonyl]amino}pentanedioic acid

Names and Identifiers

Registration numbers

EC Number

214-584-1

CAS Number

1155-62-0

Beilstein Number

2061272