D-leucyl-N-(3-chlorobenzyl)-L-prolinamide
Thuốc Gốc
Small Molecule
CTHH: C18H26ClN3O2
PTK: 351.871
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C18H26ClN3O2
Phân tử khối
351.871
Monoisotopic mass
351.171354798
InChI
InChI=1S/C18H26ClN3O2/c1-12(2)9-15(20)18(24)22-8-4-7-16(22)17(23)21-11-13-5-3-6-14(19)10-13/h3,5-6,10,12,15-16H,4,7-9,11,20H2,1-2H3,(H,21,23)/t15-,16+/m1/s1
InChI Key
InChIKey=FHVBVJXZKNCSLP-CVEARBPZSA-N
IUPAC Name
(2S)-1-[(2R)-2-amino-4-methylpentanoyl]-N-[(3-chlorophenyl)methyl]pyrrolidine-2-carboxamide
Traditional IUPAC Name
(2S)-1-[(2R)-2-amino-4-methylpentanoyl]-N-[(3-chlorophenyl)methyl]pyrrolidine-2-carboxamide
SMILES
[H][C@@](N)(CC(C)C)C(=O)N1CCC[C@@]1([H])C(=O)NCC1=CC(Cl)=CC=C1
Độ hòa tan
7.18e-02 g/l
logP
2.16
logS
-3.7
pKa (strongest acidic)
14.74
pKa (Strongest Basic)
8.12
PSA
75.43 Å2
Refractivity
95.29 m3·mol-1
Polarizability
37.11 Å3
Rotatable Bond Count
6
H Bond Acceptor Count
3
H Bond Donor Count
2
Physiological Charge
1
Number of Rings
2
Bioavailability
1
Rule of Five
true
Ghose Filter
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
Bạn thấy hài lòng ?
Bạn chưa hài lòng ?
... loading
... loading