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1013937-63-7

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Basic Information
CAS No.: 1013937-63-7
Name: CARBAMIC ACID, N-[2-[(R)-(3-CHLOROPHENYL)[(3R)-1-[[[(2S)-2-(METHYLAMINO)-3-[(3R)-TETRAHYDRO-2H-PYRAN-3-YL]PROPYL]AMINO]CARBONYL]-3-PIPERIDINYL]METHOXY]ETHYL]-, METHYL ESTER, 2,2,2-TRIFLUOROACETATE (1:1)
Article Data: 1
Molecular Structure:
Molecular Structure of 1013937-63-7 (CARBAMIC ACID, N-[2-[(R)-(3-CHLOROPHENYL)[(3R)-1-[[[(2S)-2-(METHYLAMINO)-3-[(3R)-TETRAHYDRO-2H-PYRAN-3-YL]PROPYL]AMINO]CARBONYL]-3-PIPERIDINYL]METHOXY]ETHYL]-, METHYL ESTER, 2,2,2-TRIFLUOROACETATE (1:1))
Formula: C26H41ClN4O5.C2HF3O2
Molecular Weight: 639.10
Synonyms: Carbamic acid, N-[2-[(R)-(3-chlorophenyl)[(3R)-1-[[[(2S)-2-(methylamino)-3-[(3R)-tetrahydro-2H-pyran-3-yl]propyl]amino]carbonyl]-3-piperidinyl]methoxy]ethyl]-, methyl ester, 2,2,2-trifluoroacetate (1:1);
PSA: 138.46000
LogP: 5.32390
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Specification

The VTP-27999, with the CAS number 1013937-63-7, is also called methyl N-[2-[(R)-(3-chlorophenyl)-[(3R)-1-[[(2S)-2-(methylamino)-3-[(3R)-tetrahydropyran-3-yl]propyl]carbamoyl]-3-piperidyl]methoxy]ethyl]carbamate; 2,2,2-trifluoroacetic acid. Its molecular formula is C26H41ClN4O5.C2HF3O2.

You can still convert the following datas into molecular structure:
(1)SMILES: CNC(CC1CCCOC1)CNC(=O)N2CCCC(C2)C(c3cccc(c3)Cl)OCCNC(=O)OC.C(=O)(C(F)(F)F)O
(2)InChI: InChI=1/C26H41ClN4O5.C2HF3O2/c1-28-23(14-19-6-5-12-35-18-19)16-30-25(32)31-11-4-8-21(17-31)24(20-7-3-9-22(27)15-20)36-13-10-29-26(33)34-2;3-2(4,5)1(6)7/h3,7,9,15,19,21,23-24,28H,4-6,8,10-14,16-18H2,1-2H3,(H,29,33)(H,30,32);(H,6,7)/t19-,21-,23+,24+;/m1./s1
(3)InChIKey: SYWYSVAEGXHOJO-VIEYARBJBS