1-[N[(Phenylmethoxy)Carbonyl]-L-Leucyl-4-[[N/N-[(Phenylmethoxy)Carbonyl]-/Nl-Leucyl]Amino]-3-Pyrroli
Thuốc Gốc
Small Molecule
CTHH: C32H42N4O7
PTK: 594.6985
Nhận Dạng Quốc Tế & Đặc Tính Hóa Học
Công thức hóa học
C32H42N4O7
Phân tử khối
594.6985
Monoisotopic mass
594.305349718
InChI
InChI=1S/C32H42N4O7/c1-21(2)15-25(34-31(40)42-19-23-11-7-5-8-12-23)29(38)33-27-17-36(18-28(27)37)30(39)26(16-22(3)4)35-32(41)43-20-24-13-9-6-10-14-24/h5-14,21-22,25-27H,15-20H2,1-4H3,(H,33,38)(H,34,40)(H,35,41)/t25-,26-,27-/m1/s1
InChI Key
InChIKey=GXENQLUSOCKXDN-ZONZVBGPSA-N
IUPAC Name
benzyl N-[(1R)-1-{[(3R)-1-[(2R)-2-{[(benzyloxy)carbonyl]amino}-4-methylpentanoyl]-4-oxopyrrolidin-3-yl]carbamoyl}-3-methylbutyl]carbamate
Traditional IUPAC Name
benzyl N-[(1R)-1-{[(3R)-1-[(2R)-2-{[(benzyloxy)carbonyl]amino}-4-methylpentanoyl]-4-oxopyrrolidin-3-yl]carbamoyl}-3-methylbutyl]carbamate
SMILES
CC(C)C[C@@H](NC(=O)OCC1=CC=CC=C1)C(=O)N[C@@H]1CN(CC1=O)C(=O)[C@@H](CC(C)C)NC(=O)OCC1=CC=CC=C1
Độ hòa tan
4.50e-03 g/l
logP
4.28
logS
-5.1
pKa (strongest acidic)
12.3
pKa (Strongest Basic)
-3.4
PSA
143.14 Å2
Refractivity
158.89 m3·mol-1
Polarizability
64.11 Å3
Rotatable Bond Count
15
H Bond Acceptor Count
5
H Bond Donor Count
3
Physiological Charge
0
Number of Rings
3
Bioavailability
0
MDDR-Like Rule
true
Tài Liệu Tham Khảo Thêm
drugbank
PubChem Compound
PubChem Substance
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