D-Glucitol, 1-deoxy-1-(methylamino)-, 4-[[(1R)_2-[[(2R)-3-(1H-indol-3-yl)-2-methyl-1-oxo-2-[[(tricyclo[3.3.1.13,7]dec-2-yloxy)carbonyl]amino]propyl]amino]-1-phenylethyl]amino]-4-oxobutanoate (1:1)

CAS Registry Number®

130404-91-0
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CAS Name

D-Glucitol, 1-deoxy-1-(methylamino)-, 4-[[(1R)_2-[[(2R)-3-(1H-indol-3-yl)-2-methyl-1-oxo-2-[[(tricyclo[3.3.1.13,7]dec-2-yloxy)carbonyl]amino]propyl]amino]-1-phenylethyl]amino]-4-oxobutanoate (1:1)

Molecular Formula

C35H42N4O6.C7H17NO5

Cite this Page

D-Glucitol, 1-deoxy-1-(methylamino)-, 4-[[(1R)_2-[[(2R)-3-(1H-indol-3-yl)-2-methyl-1-oxo-2-[[(tricyclo[3.3.1.13,7]dec-2-yloxy)carbonyl]amino]propyl]amino]-1-phenylethyl]amino]-4-oxobutanoate (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=130404-91-0 (retrieved 2024-05-16) (CAS RN: 130404-91-0).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C35H42N4O6.C7H17NO5/c1-35(18-26-19-36-28-10-6-5-9-27(26)28,39-34(44)45-32-24-14-21-13-22(16-24)17-25(32)15-21)33(43)37-20-29(23-7-3-2-4-8-23)38-30(40)11-12-31(41)42;1-8-2-4(10)6(12)7(13)5(11)3-9/h2-10,19,21-22,24-25,29,32,36H,11-18,20H2,1H3,(H,37,43)(H,38,40)(H,39,44)(H,41,42);4-13H,2-3H2,1H3/t21?,22?,24?,25?,29-,32?,35+;4-,5+,6+,7+/m00/s1

InChIKey

InChIKey=DEZUAGYSLSZLFO-DRGCLBCYSA-N

SMILES

O(C(N[C@](CC=1C=2C(NC1)=CC=CC2)(C(NC[C@H](NC(CCC(O)=O)=O)C3=CC=CC=C3)=O)C)=O)C4C5CC6CC4CC(C5)C6.[C@H]([C@@H]([C@@H](CO)O)O)([C@H](CNC)O)O

Canonical SMILES

O=C(O)CCC(=O)NC(C=1C=CC=CC1)CNC(=O)C(NC(=O)OC2C3CC4CC(C3)CC2C4)(C)CC5=CNC=6C=CC=CC65.OCC(O)C(O)C(O)C(O)CNC

Other Names for this Substance

  • D-Glucitol, 1-deoxy-1-(methylamino)-, 4-[[(1R)_2-[[(2R)-3-(1H-indol-3-yl)-2-methyl-1-oxo-2-[[(tricyclo[3.3.1.13,7]dec-2-yloxy)carbonyl]amino]propyl]amino]-1-phenylethyl]amino]-4-oxobutanoate (1:1)
  • D-Glucitol, 1-deoxy-1-(methylamino)-, [R-(R*,R*)]-4-[[2-[[3-(1H-indol-3-yl)-2-methyl-1-oxo-2-[[(tricyclo[3.3.1.13,7]dec-2-yloxy)carbonyl]amino]propyl]amino]-1-phenylethyl]amino]-4-oxobutanoate (salt)
  • D-Glucitol, 1-deoxy-1-(methylamino)-, 4-[[(1R)_2-[[(2R)-3-(1H-indol-3-yl)-2-methyl-1-oxo-2-[[(tricyclo[3.3.1.13,7]dec-2-yloxy)carbonyl]amino]propyl]amino]-1-phenylethyl]amino]-4-oxobutanoate (salt)
  • Butanoic acid, 4-[[2-[[3-(1H-indol-3-yl)-2-methyl-1-oxo-2-[[(tricyclo[3.3.1.13,7]dec-2-yloxy)carbonyl]amino]propyl]amino]-1-phenylethyl]amino]-4-oxo-, [R-(R*,R*)]-, compd. with 1-deoxy-1-(methylamino)-D-glucitol (1:1)
  • Butanoic acid, 4-[[(1R)-2-[[(2R)-3-(1H-indol-3-yl)-2-methyl-1-oxo-2-[[(tricyclo[3.3.1.13,7]dec-2-yloxy)carbonyl]amino]propyl]amino]-1-phenylethyl]amino]-4-oxo-, compd. with 1-deoxy-1-(methylamino)-D-glucitol (1:1)

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