Tìm theo
Sp-876
Thuốc Gốc
Small Molecule
CTHH: C20H25N3O10S
PTK: 499.492
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C20H25N3O10S
Phân tử khối
499.492
Monoisotopic mass
499.126064725
InChI
InChI=1S/C20H25N3O10S/c24-16(25)8-7-14(20(30)31)22-18(28)12-3-5-13(6-4-12)34(32,33)23-11-1-2-15(23)19(29)21-10-9-17(26)27/h3-6,14-15H,1-2,7-11H2,(H,21,29)(H,22,28)(H,24,25)(H,26,27)(H,30,31)/t14-,15+/m1/s1
InChI Key
InChIKey=SRAHBOKVSSZEHQ-CABCVRRESA-N
IUPAC Name
(2R)-2-({4-[(2S)-2-[(2-carboxyethyl)carbamoyl]pyrrolidine-1-sulfonyl]phenyl}formamido)pentanedioic acid
Traditional IUPAC Name
(2R)-2-({4-[(2S)-2-[(2-carboxyethyl)carbamoyl]pyrrolidine-1-sulfonyl]phenyl}formamido)pentanedioic acid
SMILES
OC(=O)CCNC(=O)[[email protected]@H]1CCCN1S(=O)(=O)C1=CC=C(C=C1)C(=O)N[[email protected]](CCC(O)=O)C(O)=O
Độ hòa tan
3.53e-01 g/l
logP
-0.98
logS
-3.1
pKa (strongest acidic)
2.58
pKa (Strongest Basic)
-1.3
PSA
207.48 Å2
Refractivity
114.23 m3·mol-1
Polarizability
47.04 Å3
Rotatable Bond Count
11
H Bond Acceptor Count
10
H Bond Donor Count
5
Physiological Charge
-3
Number of Rings
2
Bioavailability
0
Rule of Five
true
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