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(R)-6-[(1S)-1-Methoxycarbonyl-2-phenylethyl-4,9-dimethyl-3,4,5,6,7,8,9,10-octahydro-dinaphtho[2,1-f:1',2'-h][1,2,4,11]tetrazacyclododecine-5,8-dione

View entire compound with spectra: 1 MS (GC)

(R)-6-[(1S)-1-Methoxycarbonyl-2-phenylethyl-4,9-dimethyl-3,4,5,6,7,8,9,10-octahydro-dinaphtho[2,1-f:1',2'-h][1,2,4,11]tetrazacyclododecine-5,8-dione
SpectraBase Compound ID JTd4i1QGK2u
InChI InChI=1S/C36H34N4O4/c1-38-22-27-19-17-25-13-7-9-15-29(25)32(27)33-28(20-18-26-14-8-10-16-30(26)33)23-39(2)36(43)40(37-35(38)42)31(34(41)44-3)21-24-11-5-4-6-12-24/h4-20,31H,21-23H2,1-3H3,(H,37,42)/t31-/m0/s1
InChIKey NWGCNHGHYIOOBA-HKBQPEDESA-N
Mol Weight 586.7 g/mol
Molecular Formula C36H34N4O4
Exact Mass 586.258006 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3qHzqb9TtHb
Name (R)-6-[(1S)-1-Methoxycarbonyl-2-phenylethyl-4,9-dimethyl-3,4,5,6,7,8,9,10-octahydro-dinaphtho[2,1-f:1',2'-h][1,2,4,11]tetrazacyclododecine-5,8-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H34N4O4
InChI InChI=1S/C36H34N4O4/c1-38-22-27-19-17-25-13-7-9-15-29(25)32(27)33-28(20-18-26-14-8-10-16-30(26)33)23-39(2)36(43)40(37-35(38)42)31(34(41)44-3)21-24-11-5-4-6-12-24/h4-20,31H,21-23H2,1-3H3,(H,37,42)/t31-/m0/s1
InChIKey NWGCNHGHYIOOBA-HKBQPEDESA-N
Molecular Weight 586.692 g/mol
SMILES N1C(N(Cc2c(-c3c(CN(C(N1[C@](C(=O)OC)(Cc1ccccc1)[H])=O)C)ccc1ccccc31)c1ccccc1cc2)C)=O
SPLASH splash10-004l-0090010000-c00b65d3330ff1c30f83
Source of Spectrum KC-0-2672-16
Wiley ID 786670