CAS 35661-60-0|(2S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-4-methylpentanoic acid|N-(9-Fluorenylmethoxycarbonyl)-L-leucine|(2S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-4-methylpentanoic aci...

General Information

Structure

Molecular Formula

C₂₁H₂₃NO₄

Molecular Mass

353.41162

Exact Mass

353.16270822

Charge

InChI

InChI=1S/C21H23NO4/c1-13(2)11-19(20(23)24)22-21(25)26-12-18-16-9-5-3-7-14(16)15-8-4-6-10-17(15)18/h3-10,13,18-19H,11-12H2,1-2H3,(H,22,25)(H,23,24)/t19-/m0/s1

InChIKey

CBPJQFCAFFNICX-IBGZPJMESA-N

Canonic Smiles

CC(C[C@@H](C(=O)O)NC(=O)OCC1c2ccccc2c2c1cccc2)C

Isomeric Smiles

O(CC1c2c(cccc2)c2c1cccc2)C(=O)N[C@@H](CC(C)C)C(=O)O

Calculated Properties

JChem

Acid pKa

3.911515

H Acceptors

H Donor

LogD (pH = 5.5)

2.704829

LogD (pH = 7.4)

1.0918231

Log P

4.299427

Molar Refractivity

98.2507

Polarizability

39.52138

Polar Surface Area

75.63

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC name

(2S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-4-methylpentanoic acid (2S)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-4-methylpentanoic acid

IUPAC Traditional name

(2S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-4-methylpentanoic acid

Synonyms

N-(9-Fluorenylmethoxycarbonyl)-L-leucineFmoc-Leu-OHN-(9-Fluorenylmethoxycarbonyl)-L-leucineN-(9-芴甲氧羰基)-L-亮氨酸Fmoc-L-亮氨酸Fmoc-L-leucineN-Fmoc-L-亮氨酸N-Fmoc-L-leucineL-Leucine, FMOC protectedFmoc-Leu-OHFmoc-Leu-OHN-α-FMOC-L-LEUCINEFMOC-L-Leucine

Names and Identifiers

Registration numbers

PubChem SID

1620389972486558224871239

PubChem CID

1549133

MDL Number

MFCD00037133MFCD00204311

Beilstein Number

2178254

EC Number

252-662-7