MMI-175
Thuốc Gốc
Small Molecule
CTHH: C38H62N6O8
PTK: 730.9343
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
730.9343
Monoisotopic mass
730.46291299
InChI
InChI=1S/C38H62N6O8/c1-23(2)19-28(30(45)20-26(7)34(47)43-32(24(3)4)36(49)40-22-27-15-11-10-12-16-27)41-35(48)29-21-31(46)39-17-13-8-9-14-18-52-38(51)44-33(25(5)6)37(50)42-29/h10-12,15-16,23-26,28-30,32-33,45H,8-9,13-14,17-22H2,1-7H3,(H,39,46)(H,40,49)(H,41,48)(H,42,50)(H,43,47)(H,44,51)/t26-,28-,29+,30+,32-,33-/m0/s1
InChI Key
InChIKey=QJAPFAZHNSZLJE-KXZVVICLSA-N
IUPAC Name
(2S,4R,5S)-N-[(1S)-1-(benzylcarbamoyl)-2-methylpropyl]-4-hydroxy-2,7-dimethyl-5-{[(4S,7R)-2,5,9-trioxo-4-(propan-2-yl)-1-oxa-3,6,10-triazacyclohexadecan-7-yl]formamido}octanamide
Traditional IUPAC Name
(2S,4R,5S)-N-[(1S)-1-(benzylcarbamoyl)-2-methylpropyl]-4-hydroxy-5-{[(4S,7R)-4-isopropyl-2,5,9-trioxo-1-oxa-3,6,10-triazacyclohexadecan-7-yl]formamido}-2,7-dimethyloctanamide
SMILES
CC(C)C[C@H](NC(=O)[C@H]1CC(=O)NCCCCCCOC(=O)N[C@@H](C(C)C)C(=O)N1)[C@H](O)C[C@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCC1=CC=CC=C1
Độ hòa tan
1.55e-02 g/l
logP
2.78
logS
-4.7
pKa (strongest acidic)
11.17
pKa (Strongest Basic)
-0.0096
PSA
204.06 Å2
Refractivity
195.87 m3·mol-1
Polarizability
79.34 Å3
Rotatable Bond Count
14
H Bond Acceptor Count
7
H Bond Donor Count
7
Physiological Charge
0
Number of Rings
2
Bioavailability
0
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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