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Basic Information
CAS No.: 117770-66-8
Name: tert-Butyl 3S-amino-2,3,4,5-tetrahydro-1H-[1]benaepin-2-one-1-acetate tartrate
Molecular Structure:
Molecular Structure of 117770-66-8 (tert-Butyl 3S-amino-2,3,4,5-tetrahydro-1H-[1]benaepin-2-one-1-acetate tartrate)
Formula: C16H22N2O3.C4H6O6
Molecular Weight: 440.45
Synonyms: T-butyl,3S-amino-2,3,4,5-tetrahydro-1H-[1]benaepin-2-one-1acetate-tartrate;
EINECS: 1533716-785-6
Melting Point: 190°C (dec.)
PSA: 187.69000
LogP: 0.27750
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Specification

The tert-Butyl 3S-amino-2,3,4,5-tetrahydro-1H-[1]benaepin-2-one-1-acetate tartrate, with cas registry number 117770-66-8, has the systematic name of tert-butyl 2-[(3S)-3-amino-2-oxo-4,5-dihydro-3H-1-benzazepin-1-yl]acetate; 2,3-dihydroxybutanedioic acid. Besides this, it is also called tert-Butyl (3S)-amino-2,3,4,5-tetrahydro-1H-[1]benaepin-2-one-1-acetate tartrate.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)CN1c2ccccc2CC[C@@H](C1=O)N.C(C(C(=O)O)O)(C(=O)O)O
(2)InChI: InChI=1/C16H22N2O3.C4H6O6/c1-16(2,3)21-14(19)10-18-13-7-5-4-6-11(13)8-9-12(17)15(18)20;5-1(3(7)8)2(6)4(9)10/h4-7,12H,8-10,17H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)/t12-;/m0./s1
(3)InChIKey: DLYKUHWZMNJPSM-YDALLXLXBV
(4)Std. InChI: InChI=1S/C16H22N2O3.C4H6O6/c1-16(2,3)21-14(19)10-18-13-7-5-4-6-11(13)8-9-12(17)15(18)20;5-1(3(7)8)2(6)4(9)10/h4-7,12H,8-10,17H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)/t12-;/m0./s1
(5)Std. InChIKey: DLYKUHWZMNJPSM-YDALLXLXSA-N