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128837-71-8 | Benzeneacetic acid, 4-[[(2S)-2-[[[trans-4-(aminomethyl)cyclohexyl]carbonyl]amino]-1-oxo-3-phenylpropyl]amino]-, hydrochloride (1:1)
CAS No: 128837-71-8 Catalog No: AG000YEX MDL No:
Product Description
Catalog Number:
AG000YEX
Chemical Name:
Benzeneacetic acid, 4-[[(2S)-2-[[[trans-4-(aminomethyl)cyclohexyl]carbonyl]amino]-1-oxo-3-phenylpropyl]amino]-, hydrochloride (1:1)
CAS Number:
128837-71-8
Molecular Formula:
C25H32ClN3O4
Molecular Weight:
473.9923
IUPAC Name:
2-[4-[[(2S)-2-[[4-(aminomethyl)cyclohexanecarbonyl]amino]-3-phenylpropanoyl]amino]phenyl]acetic acid;hydrochloride
InChI:
InChI=1S/C25H31N3O4.ClH/c26-16-19-6-10-20(11-7-19)24(31)28-22(14-17-4-2-1-3-5-17)25(32)27-21-12-8-18(9-13-21)15-23(29)30;/h1-5,8-9,12-13,19-20,22H,6-7,10-11,14-16,26H2,(H,27,32)(H,28,31)(H,29,30);1H/t19?,20?,22-;/m0./s1
InChI Key:
NAXNMKUKSBHHMP-QCXPCDNBSA-N
SMILES:
NC[C@@H]1CC[C@H](CC1)C(=O)N[C@H](C(=O)Nc1ccc(cc1)CC(=O)O)Cc1ccccc1.Cl
Properties
Complexity:
619
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
473.208g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
5
Isotope Atom Count:
0
Molecular Weight:
473.998g/mol
Monoisotopic Mass:
473.208g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Release of proteolytic activity following reduction in therapeutic human serum albumin containing products: detection with a new neoepitope endopeptidase immunoassay. | Journal of pharmaceutical and biomedical analysis 20110105 |
| Angiotensin II type 2 receptor-mediated inhibition of norepinephrine release in isolated rat hearts. | Journal of cardiovascular pharmacology 20080801 |
| Synergistic antithrombotic effect of a combination of NO donor and plasma kallikrein inhibitor. | Thrombosis research 20050101 |
| Suppression of argatroban-induced endogenous thrombolysis by PKSI-527, and antibodies to TPA and UPA, evaluated in a rat arterial thrombolysis model. | Thrombosis and haemostasis 20030501 |
| Binding diversity of a noncovalent-type low-molecular-weight serine protease inhibitor and function of a catalytic water molecule: X-ray crystal structure of PKSI-527--inhibited trypsin. | Journal of biochemistry 20010301 |
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