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Virenamide A

View entire compound with spectra: 1 MS (GC)

Virenamide A
SpectraBase Compound ID 6RgpvH99HnT
InChI InChI=1S/C31H46N4O2S/c1-21(2)14-17-35(18-15-22(3)4)26(20-25-12-10-9-11-13-25)29(36)33-27(23(5)6)30(37)34-28(24(7)8)31-32-16-19-38-31/h9-16,19,23-24,26-28H,17-18,20H2,1-8H3,(H,33,36)(H,34,37)/t26-,27-,28-/m0/s1
InChIKey VXPIPADKEDUIDI-KCHLEUMXSA-N
Mol Weight 538.8 g/mol
Molecular Formula C31H46N4O2S
Exact Mass 538.334148 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID J7upl2jWusI
Name Virenamide A
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H46N4O2S
InChI InChI=1S/C31H46N4O2S/c1-21(2)14-17-35(18-15-22(3)4)26(20-25-12-10-9-11-13-25)29(36)33-27(23(5)6)30(37)34-28(24(7)8)31-32-16-19-38-31/h9-16,19,23-24,26-28H,17-18,20H2,1-8H3,(H,33,36)(H,34,37)/t26-,27-,28-/m0/s1
InChIKey VXPIPADKEDUIDI-KCHLEUMXSA-N
Molecular Weight 538.795 g/mol
SMILES N(C([C@@](NC([C@@](N(CC=C(C)C)CC=C(C)C)(Cc1ccccc1)[H])=O)(C(C)C)[H])=O)[C@](c1nccs1)(C(C)C)[H]
SPLASH splash10-01b9-9510000000-81aa969528cd1ddf80e6
Source of Spectrum J-61-4061-1
Synonyms (2S)-2-[[(2S)-2-[bis(3-methylbut-2-enyl)amino]-1-oxo-3-phenylpropyl]amino]-3-methyl-N-[(1S)-2-methyl-1-(2-thiazolyl)propyl]butanamide (2S)-2-[[(2S)-2-[bis(3-methylbut-2-enyl)amino]-3-phenylpropanoyl]amino]-3-methyl-N-[(1S)-2-methyl-1-(1,3-thiazol-2-yl)propyl]butanamide (2S)-2-[[(2S)-2-[bis(3-methylbut-2-enyl)amino]-3-phenyl-propanoyl]amino]-3-methyl-N-[(1S)-2-methyl-1-thiazol-2-yl-propyl]butanamide (2S)-2-[[(2S)-2-[bis(3-methylbut-2-enyl)amino]-3-phenyl-propanoyl]amino]-3-methyl-N-[(1S)-2-methyl-1-(1,3-thiazol-2-yl)propyl]butanamide
Wiley ID 1404357