HONH-BENZYLMALONYL-L-ALANYLGLYCINE-P-NITROANILIDE
Thuốc Gốc
Small Molecule
CTHH: C21H23N5O7
PTK: 457.4366
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C21H23N5O7
Phân tử khối
457.4366
Monoisotopic mass
457.159748115
InChI
InChI=1S/C21H23N5O7/c1-13(23-20(29)17(21(30)25-31)11-14-5-3-2-4-6-14)19(28)22-12-18(27)24-15-7-9-16(10-8-15)26(32)33/h2-10,13,17,31H,11-12H2,1H3,(H,22,28)(H,23,29)(H,24,27)(H,25,30)/t13-,17-/m0/s1
InChI Key
InChIKey=TZWQPWGUQCSKDW-GUYCJALGSA-N
IUPAC Name
(2S)-2-benzyl-N-hydroxy-N'-[(1S)-1-({[(4-nitrophenyl)carbamoyl]methyl}carbamoyl)ethyl]propanediamide
Traditional IUPAC Name
(2S)-2-benzyl-N-hydroxy-N'-[(1S)-1-({[(4-nitrophenyl)carbamoyl]methyl}carbamoyl)ethyl]propanediamide
SMILES
[H][C@@](C)(NC(=O)[C@]([H])(CC1=CC=CC=C1)C(=O)NO)C(=O)NCC(=O)NC1=CC=C(C=C1)[N+]([O-])=O
Độ hòa tan
1.05e-02 g/l
logP
0.71
logS
-4.6
pKa (strongest acidic)
8.78
pKa (Strongest Basic)
-4.5
PSA
182.45 Å2
Refractivity
117.55 m3·mol-1
Polarizability
44.11 Å3
Rotatable Bond Count
10
H Bond Acceptor Count
7
H Bond Donor Count
5
Physiological Charge
0
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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