Skf 107457
Thuốc Gốc
Small Molecule
CAS: 144285-77-8
CTHH: C29H47N5O7
PTK: 577.7128
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C29H47N5O7
Phân tử khối
577.7128
Monoisotopic mass
577.347548883
InChI
InChI=1S/C29H47N5O7/c1-16(2)24(28(39)34-25(17(3)4)29(40)41-7)33-23(36)14-13-22(35)21(15-20-11-9-8-10-12-20)32-27(38)19(6)31-26(37)18(5)30/h8-12,16-19,21-22,24-25,35H,13-15,30H2,1-7H3,(H,31,37)(H,32,38)(H,33,36)(H,34,39)/t18-,19+,21-,22-,24-,25-/m0/s1
InChI Key
InChIKey=IUDCAKKZLXFOQA-FDCFHUKCSA-N
IUPAC Name
methyl (2S)-2-[(2S)-2-[(4S,5S)-5-[(2R)-2-[(2S)-2-aminopropanamido]propanamido]-4-hydroxy-6-phenylhexanamido]-3-methylbutanamido]-3-methylbutanoate
Traditional IUPAC Name
methyl (2S)-2-[(2S)-2-[(4S,5S)-5-[(2R)-2-[(2S)-2-aminopropanamido]propanamido]-4-hydroxy-6-phenylhexanamido]-3-methylbutanamido]-3-methylbutanoate
SMILES
COC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CC[C@H](O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H](C)NC(=O)[C@H](C)N)C(C)C)C(C)C
Độ hòa tan
2.37e-02 g/l
logP
0.6
logS
-4.4
pKa (strongest acidic)
12.05
pKa (Strongest Basic)
8.09
PSA
188.95 Å2
Refractivity
152.41 m3·mol-1
Polarizability
61.49 Å3
Rotatable Bond Count
17
H Bond Acceptor Count
7
H Bond Donor Count
6
Physiological Charge
1
Number of Rings
1
Bioavailability
0
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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