Argifin
Thuốc Gốc
Small Molecule
CTHH: C29H41N9O10
PTK: 675.6901
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C29H41N9O10
Phân tử khối
675.6901
Monoisotopic mass
675.297638577
InChI
InChI=1S/C29H41N9O10/c1-15-23(41)35-17(10-7-11-32-28(30)37-29(48)31-2)25(43)38(3)20(12-16-8-5-4-6-9-16)24(42)36-19(27(46)47)14-22(40)34-18(26(44)45)13-21(39)33-15/h4-6,8-9,15,17-20H,7,10-14H2,1-3H3,(H,33,39)(H,34,40)(H,35,41)(H,36,42)(H,44,45)(H,46,47)(H4,30,31,32,37,48)/t15-,17-,18-,19-,20-/m1/s1
InChI Key
InChIKey=UHBHXSDKGLPPGO-YHUYVZNPSA-N
IUPAC Name
(2R,5R,8R,11R,15R)-8-benzyl-2,7-dimethyl-5-[3-({[(methylcarbamoyl)amino]methanimidoyl}amino)propyl]-3,6,9,13,17-pentaoxo-1,4,7,10,14-pentaazacycloheptadecane-11,15-dicarboxylic acid
Traditional IUPAC Name
argifin
SMILES
CNC(=O)NC(=N)NCCC[C@H]1NC(=O)[C@@H](C)NC(=O)C[C@@H](NC(=O)C[C@@H](NC(=O)[C@@H](CC2=CC=CC=C2)N(C)C1=O)C(O)=O)C(O)=O
Độ hòa tan
1.71e-01 g/l
logP
-5.1
logS
-3.6
pKa (strongest acidic)
3.15
pKa (Strongest Basic)
7.43
PSA
288.32 Å2
Refractivity
174.52 m3·mol-1
Polarizability
66.59 Å3
Rotatable Bond Count
8
H Bond Acceptor Count
12
H Bond Donor Count
10
Physiological Charge
-1
Number of Rings
2
Bioavailability
0
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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