Tìm theo
[N-(3-DIBENZYLCARBAMOYL-OXIRANECARBONYL)-HYDRAZINO]-ACETIC ACID
Thuốc Gốc
Small Molecule
CTHH: C20H23N3O5
PTK: 385.4137
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C20H23N3O5
Phân tử khối
385.4137
Monoisotopic mass
385.163770861
InChI
InChI=1S/C20H23N3O5/c21-23(14-19(26)27)18(25)11-17(24)20(28)22(12-15-7-3-1-4-8-15)13-16-9-5-2-6-10-16/h1-10,17,24H,11-14,21H2,(H,26,27)/t17-/m0/s1
InChI Key
InChIKey=JGMMFVVACJREFE-KRWDZBQOSA-N
IUPAC Name
2-[(3S)-N-amino-3-(dibenzylcarbamoyl)-3-hydroxypropanamido]acetic acid
Traditional IUPAC Name
[(3S)-N-amino-3-(dibenzylcarbamoyl)-3-hydroxypropanamido]acetic acid
SMILES
[H][C@](O)(CC(=O)N(N)CC(O)=O)C(=O)N(CC1=CC=CC=C1)CC1=CC=CC=C1
Độ hòa tan
2.91e-02 g/l
logP
0.055
logS
-4.1
pKa (strongest acidic)
3.75
pKa (Strongest Basic)
3
PSA
124.17 Å2
Refractivity
103 m3·mol-1
Polarizability
38.2 Å3
Rotatable Bond Count
9
H Bond Acceptor Count
6
H Bond Donor Count
3
Physiological Charge
-1
Number of Rings
2
Bioavailability
1
Rule of Five
true
Ghose Filter
true
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