N-[N-[1-Hydroxycarboxyethyl-Carbonyl]Leucylamino-Butyl]-Guanidine
Thuốc Gốc
Small Molecule
CTHH: C15H30N5O5
PTK: 360.4292
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C15H30N5O5
Phân tử khối
360.4292
Monoisotopic mass
360.224694095
InChI
InChI=1S/C15H29N5O5/c1-9(2)7-10(20-14(25)11(21)8-12(22)23)13(24)18-5-3-4-6-19-15(16)17/h9-11,21H,3-8H2,1-2H3,(H,18,24)(H,20,25)(H,22,23)(H4,16,17,19)/p+1/t10-,11-/m0/s1
InChI Key
InChIKey=QPQNJAXBPHVASB-QWRGUYRKSA-O
IUPAC Name
[amino({4-[(2S)-2-[(2S)-3-carboxy-2-hydroxypropanamido]-4-methylpentanamido]butyl}amino)methylidene]azanium
Traditional IUPAC Name
[amino({4-[(2S)-2-[(2S)-3-carboxy-2-hydroxypropanamido]-4-methylpentanamido]butyl}amino)methylidene]azanium
SMILES
CC(C)C[C@H](NC(=O)[C@@H](O)CC(O)=O)C(=O)NCCCCNC(N)=[NH2+]
Độ hòa tan
1.10e+00 g/l
logP
-3.2
logS
-2.6
pKa (strongest acidic)
3.95
pKa (Strongest Basic)
11.88
PSA
179.37 Å2
Refractivity
101.54 m3·mol-1
Polarizability
38.43 Å3
Rotatable Bond Count
12
H Bond Acceptor Count
7
H Bond Donor Count
7
Physiological Charge
0
Number of Rings
0
Bioavailability
0
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
Bạn thấy hài lòng ?
Bạn chưa hài lòng ?
... loading
... loading