1-(4-Tert-Butylcarbamoyl-Piperazine-1-Carbonyl)-3-(3-Guanidino-Propyl)-4-Oxo-Azetidine-2-Carboxylic
Thuốc Gốc
Small Molecule
CTHH: C18H33N7O5
PTK: 427.4985
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C18H33N7O5
Phân tử khối
427.4985
Monoisotopic mass
427.254317201
InChI
InChI=1S/C18H33N7O5/c1-18(2,3)23-17(30)25-9-7-24(8-10-25)16(29)22-13(14(27)28)12(11-26)5-4-6-21-15(19)20/h11-13H,4-10H2,1-3H3,(H,22,29)(H,23,30)(H,27,28)(H4,19,20,21)/t12-,13+/m0/s1
InChI Key
InChIKey=BVNQCAHTTOIOEK-QWHCGFSZSA-N
IUPAC Name
(2R,3R)-2-({[4-(tert-butylcarbamoyl)piperazin-1-yl]carbonyl}amino)-6-carbamimidamido-3-formylhexanoic acid
Traditional IUPAC Name
(2R,3R)-2-{[4-(tert-butylcarbamoyl)piperazin-1-yl]carbonylamino}-6-carbamimidamido-3-formylhexanoic acid
SMILES
CC(C)(C)NC(=O)N1CCN(CC1)C(=O)N[C@H]([C@@H](CCCNC(N)=N)C=O)C(O)=O
Độ hòa tan
2.78e-01 g/l
logP
-3.5
logS
-3.2
pKa (strongest acidic)
3.43
pKa (Strongest Basic)
12.04
PSA
180.95 Å2
Refractivity
119.3 m3·mol-1
Polarizability
45.39 Å3
Rotatable Bond Count
9
H Bond Acceptor Count
8
H Bond Donor Count
6
Physiological Charge
0
Number of Rings
1
Bioavailability
1
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
Bạn thấy hài lòng ?
Bạn chưa hài lòng ?
... loading
... loading