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Pentanamide, 2-(dimethylamino)-4-methyl-N-[2-methyl-1-[[3,3a,11,12,13,14,15,15a-octahydro-12,15-dioxo-13-(phenylmethyl)-5,8-ethenopyrrolo[3,2-b][1,5,8]oxadiazacyclotetradecin-1(2H)-yl]carbonyl]butyl]-
SpectraBase Compound ID 4cbUos8DBIv
InChI InChI=1S/C36H49N5O5/c1-7-24(4)31(39-34(43)29(40(5)6)21-23(2)3)36(45)41-20-18-30-32(41)35(44)38-28(22-26-11-9-8-10-12-26)33(42)37-19-17-25-13-15-27(46-30)16-14-25/h8-17,19,23-24,28-32H,7,18,20-22H2,1-6H3,(H,37,42)(H,38,44)(H,39,43)/b19-17-
InChIKey WNFWWKQIJLMBCL-ZPHPHTNESA-N
Mol Weight 631.8 g/mol
Molecular Formula C36H49N5O5
Exact Mass 631.37337 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5icDS8LhvKG
Name Pentanamide, 2-(dimethylamino)-4-methyl-N-[2-methyl-1-[[3,3a,11,12,13,14,15,15a-octahydro-12,15-dioxo-13-(phenylmethyl)-5,8-ethenopyrrolo[3,2-b][1,5,8]oxadiazacyclotetradecin-1(2H)-yl]carbonyl]butyl]-
Alternate Name(s) Amphibine C
CAS Registry Number 38496-01-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H49N5O5
InChI InChI=1S/C36H49N5O5/c1-7-24(4)31(39-34(43)29(40(5)6)21-23(2)3)36(45)41-20-18-30-32(41)35(44)38-28(22-26-11-9-8-10-12-26)33(42)37-19-17-25-13-15-27(46-30)16-14-25/h8-17,19,23-24,28-32H,7,18,20-22H2,1-6H3,(H,37,42)(H,38,44)(H,39,43)/b19-17-
InChIKey WNFWWKQIJLMBCL-ZPHPHTNESA-N
Molecular Weight 631.818 g/mol
SMILES N(C(C(N1C2C(NC(C(N\C=C/c3ccc(OC2CC1)cc3)=O)Cc1ccccc1)=O)=O)C(CC)C)C(=O)C(CC(C)C)N(C)C
SPLASH splash10-03di-2900000000-eed388197e1f11aa16e4
Source of Spectrum K-105-3098-2
Wiley ID 1412153