1-ETHOXYCARBONYL-D-PHE-PRO-2(4-AMINOBUTYL)HYDRAZINE
Thuốc Gốc
Small Molecule
CTHH: C21H33N5O4
PTK: 419.5178
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
419.5178
Monoisotopic mass
419.253254569
InChI
InChI=1S/C21H33N5O4/c1-2-30-21(29)24-17(15-16-9-4-3-5-10-16)20(28)26-14-8-11-18(26)19(27)25-23-13-7-6-12-22/h3-5,9-10,17-18,23H,2,6-8,11-15,22H2,1H3,(H,24,29)(H,25,27)/t17-,18+/m1/s1
InChI Key
InChIKey=AEHSFPPTWRQOFS-MSOLQXFVSA-N
IUPAC Name
ethyl N-[(2R)-1-[(2S)-2-[N'-(4-aminobutyl)hydrazinecarbonyl]pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]carbamate
Traditional IUPAC Name
ethyl N-[(2R)-1-[(2S)-2-[N'-(4-aminobutyl)hydrazinecarbonyl]pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]carbamate
SMILES
[H][C@](CC1=CC=CC=C1)(NC(=O)OCC)C(=O)N1CCC[C@@]1([H])C(=O)NNCCCCN
Độ hòa tan
2.95e-01 g/l
logP
0.51
logS
-3.1
pKa (strongest acidic)
12.27
pKa (Strongest Basic)
10.2
PSA
125.79 Å2
Refractivity
124.01 m3·mol-1
Polarizability
46.08 Å3
Rotatable Bond Count
12
H Bond Acceptor Count
5
H Bond Donor Count
4
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
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