N-(R-Carboxy-Ethyl)-Alpha-(S)-(2-Phenylethyl)Glycyl-L-Arginine-N-Phenylamide
Thuốc Gốc
Small Molecule
CTHH: C25H35N6O4
PTK: 483.5832
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
Phân tử khối
483.5832
Monoisotopic mass
483.271978638
InChI
InChI=1S/C25H34N6O4/c1-17(24(34)35)29-21(15-14-18-9-4-2-5-10-18)23(33)31-20(13-8-16-28-25(26)27)22(32)30-19-11-6-3-7-12-19/h2-7,9-12,17,20-21,29H,8,13-16H2,1H3,(H,30,32)(H,31,33)(H,34,35)(H4,26,27,28)/p+1/t17-,20-,21-/m1/s1
InChI Key
InChIKey=HDGWGGCPTVXRNA-DUXKGJEZSA-O
IUPAC Name
[amino({[(4R)-4-[(2R)-2-{[(1R)-1-carboxyethyl]amino}-4-phenylbutanamido]-4-(phenylcarbamoyl)butyl]amino})methylidene]azanium
Traditional IUPAC Name
[amino({[(4R)-4-[(2R)-2-{[(1R)-1-carboxyethyl]amino}-4-phenylbutanamido]-4-(phenylcarbamoyl)butyl]amino})methylidene]azanium
SMILES
C[C@@H](N[C@H](CCC1=CC=CC=C1)C(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)NC1=CC=CC=C1)C(O)=O
Độ hòa tan
8.86e-03 g/l
logP
0.34
logS
-4.8
pKa (strongest acidic)
3.17
pKa (Strongest Basic)
11.85
PSA
171.17 Å2
Refractivity
144.87 m3·mol-1
Polarizability
52.34 Å3
Rotatable Bond Count
14
H Bond Acceptor Count
7
H Bond Donor Count
7
Physiological Charge
1
Number of Rings
2
Bioavailability
0
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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