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110221-53-9

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Basic Information
CAS No.: 110221-53-9
Name: Temocaprilat
Article Data: 2
Molecular Structure:
Molecular Structure of 110221-53-9 (Temocaprilat)
Formula: C21H24N2O5S2
Molecular Weight: 448.564
Synonyms: 1,4-Thiazepine-4(5H)-aceticacid, 6-[(1-carboxy-3-phenylpropyl)amino]tetrahydro-5-oxo-2-(2-thienyl)-,[2S-[2a,6b(R*)]]-;RS 5139;Temocapril diacid;Temocaprilat;Temocaprilate;
Density: 1.41g/cm3
Melting Point: >2300C (dec)
Boiling Point: 743.6oCat760mmHg
Flash Point: 403.5oC
Appearance: White to Off-White Solid
PSA: 160.48000
LogP: 2.82220
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Specification

The Temocaprilat with the cas number 110221-53-9, is also called (+)-[(2S,6R)-6-[[(S)-1-(Ethoxycarbonyl)-3-phenylpropyl]amino]-5-oxo-2-(2-thienyl)perhydro-1,4-thiazepin-4-yl]acetic acid. The systematic name is 1,4-Thiazepine-4(5H)-acetic acid, 6-((1-carboxy-3-phenylpropyl)amino)tetrahydro-5-oxo-2-(2-thienyl)-, (2S-(2alpha,6beta(R*)))-. This chemical is white to off-white solid and  belongs to the following product categories: (1)Intermediates & Fine Chemicals; (2)Pharmaceuticals. It is active metabolite of angiotensin converting enzyme inhibitor and can be used as Antihypertensive.

You can still convert the following datas into molecular structure:
(1)SMILES: s1cccc1[C@H]1SC[C@@H](N[C@H](C(=O)O)CCc2ccccc2)C(N(C1)CC(O)=O)=O
(2)InChI: InChI=1/C21H24N2O5S2/c24-19(25)12-23-11-18(17-7-4-10-29-17)30-13-16(20(23)26)22-15(21(27)28)9-8-14-5-2-1-3-6-14/h1-7,10,15-16,18,22H,8-9,11-13H2,(H,24,25)(H,27,28)/t15-,16?,18-/m0/s1