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N-Cyclohexyl 4-(4-Chlorobenzyl)-2-(phenyl)-5-oxo-(S)-6-(tert-butoxycarbonylamino)-4,5,6,7-tetrahydro-1H-1,4-diazepine-3-carboxamide
SpectraBase Compound ID 8MAtsDMSI79
InChI InChI=1S/C30H37ClN4O4/c1-30(2,3)39-29(38)34-24-18-32-25(21-10-6-4-7-11-21)26(27(36)33-23-12-8-5-9-13-23)35(28(24)37)19-20-14-16-22(31)17-15-20/h4,6-7,10-11,14-17,23-24,32H,5,8-9,12-13,18-19H2,1-3H3,(H,33,36)(H,34,38)/t24-/m0/s1
InChIKey KOUDCAYOPZVFLJ-DEOSSOPVSA-N
Mol Weight 553.1 g/mol
Molecular Formula C30H37ClN4O4
Exact Mass 552.250333 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GV953kI447I
Name N-Cyclohexyl 4-(4-Chlorobenzyl)-2-(phenyl)-5-oxo-(S)-6-(tert-butoxycarbonylamino)-4,5,6,7-tetrahydro-1H-1,4-diazepine-3-carboxamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H37ClN4O4
InChI InChI=1S/C30H37ClN4O4/c1-30(2,3)39-29(38)34-24-18-32-25(21-10-6-4-7-11-21)26(27(36)33-23-12-8-5-9-13-23)35(28(24)37)19-20-14-16-22(31)17-15-20/h4,6-7,10-11,14-17,23-24,32H,5,8-9,12-13,18-19H2,1-3H3,(H,33,36)(H,34,38)/t24-/m0/s1
InChIKey KOUDCAYOPZVFLJ-DEOSSOPVSA-N
Molecular Weight 553.103 g/mol
SMILES N(C(OC(C)(C)C)=O)[C@@]1(C(N(C(=C(NC1)c1ccccc1)C(NC1CCCCC1)=O)Cc1ccc(cc1)Cl)=O)[H]
SPLASH splash10-0fk9-0409060000-336e5a0aeaa85bfec00a
Source of Spectrum F-66-6786-6c
Wiley ID 1684241