Glycine, N-[[(3R,5S)-7-chloro-5-(2,3-dimethoxyphenyl)-1,2,3,5-tetrahydro-1-(3-hydroxy-2,2-dimethylpropyl)-2-oxo-4,1-benzoxazepin-3-yl]acetyl]-

CAS Registry Number®

473987-15-4
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CAS Name

Glycine, N-[[(3R,5S)-7-chloro-5-(2,3-dimethoxyphenyl)-1,2,3,5-tetrahydro-1-(3-hydroxy-2,2-dimethylpropyl)-2-oxo-4,1-benzoxazepin-3-yl]acetyl]-

Molecular Formula

C26H31ClN2O8

Molecular Mass

534.99

Cite this Page

Glycine, N-[[(3R,5S)-7-chloro-5-(2,3-dimethoxyphenyl)-1,2,3,5-tetrahydro-1-(3-hydroxy-2,2-dimethylpropyl)-2-oxo-4,1-benzoxazepin-3-yl]acetyl]-.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=473987-15-4 (retrieved 2024-09-19) (CAS RN: 473987-15-4).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    122-123 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C26H31ClN2O8/c1-26(2,14-30)13-29-18-9-8-15(27)10-17(18)23(16-6-5-7-19(35-3)24(16)36-4)37-20(25(29)34)11-21(31)28-12-22(32)33/h5-10,20,23,30H,11-14H2,1-4H3,(H,28,31)(H,32,33)/t20-,23-/m1/s1

InChIKey

InChIKey=CONNCFGSWRVAOP-NFBKMPQASA-N

SMILES

O(C)C1=C([C@@H]2C=3C(N(CC(CO)(C)C)C(=O)[C@@H](CC(NCC(O)=O)=O)O2)=CC=C(Cl)C3)C=CC=C1OC

Canonical SMILES

O=C(O)CNC(=O)CC1OC(C=2C=CC=C(OC)C2OC)C3=CC(Cl)=CC=C3N(C1=O)CC(C)(C)CO

Other Names for this Substance

  • Glycine, N-[[(3R,5S)-7-chloro-5-(2,3-dimethoxyphenyl)-1,2,3,5-tetrahydro-1-(3-hydroxy-2,2-dimethylpropyl)-2-oxo-4,1-benzoxazepin-3-yl]acetyl]-