(2S)-2-(3-{[AMINO(IMINO)METHYL]AMINO}PHENYL)-3-[(S)-HYDROXY(3-PHENYLPROPYL)PHOSPHORYL]PROPANOIC ACID
Thuốc Gốc
Small Molecule
CTHH: C19H24N3O4P
PTK: 389.3853
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C19H24N3O4P
Phân tử khối
389.3853
Monoisotopic mass
389.150442783
InChI
InChI=1S/C19H24N3O4P/c20-19(21)22-16-10-4-9-15(12-16)17(18(23)24)13-27(25,26)11-5-8-14-6-2-1-3-7-14/h1-4,6-7,9-10,12,17H,5,8,11,13H2,(H,23,24)(H,25,26)(H4,20,21,22)/t17-/m0/s1
InChI Key
InChIKey=HFRHWTYCVGKGIE-KRWDZBQOSA-N
IUPAC Name
(2S)-2-(3-carbamimidamidophenyl)-3-[hydroxy(3-phenylpropyl)phosphoryl]propanoic acid
Traditional IUPAC Name
(2S)-2-(3-carbamimidamidophenyl)-3-[hydroxy(3-phenylpropyl)phosphoryl]propanoic acid
SMILES
[H][C@@](C[P@](O)(=O)CCCC1=CC=CC=C1)(C(O)=O)C1=CC(NC(N)=N)=CC=C1
Độ hòa tan
1.66e-02 g/l
logP
1.83
logS
-4.4
pKa (strongest acidic)
1.9
pKa (Strongest Basic)
10.28
PSA
136.5 Å2
Refractivity
116.49 m3·mol-1
Polarizability
38.83 Å3
Rotatable Bond Count
9
H Bond Acceptor Count
7
H Bond Donor Count
5
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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