For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
N1-(D)-(+)-Biotin-N2-[(2-nitroimidazol-1-yl)acetyl]-1,2-ethanediamine
SpectraBase Compound ID 75Aajk2pJ07
InChI InChI=1S/C17H25N7O5S/c25-13(4-2-1-3-12-15-11(10-30-12)21-16(27)22-15)18-5-6-19-14(26)9-23-8-7-20-17(23)24(28)29/h7-8,11-12,15H,1-6,9-10H2,(H,18,25)(H,19,26)(H2,21,22,27)/t11-,12-,15-/m0/s1
InChIKey BAGHCOOAQVJQFN-HUBLWGQQSA-N
Mol Weight 439.49 g/mol
Molecular Formula C17H25N7O5S
Exact Mass 439.163788 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 74NmDSjueis
Name N1-(D)-(+)-Biotin-N2-[(2-nitroimidazol-1-yl)acetyl]-1,2-ethanediamine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H25N7O5S
InChI InChI=1S/C17H25N7O5S/c25-13(4-2-1-3-12-15-11(10-30-12)21-16(27)22-15)18-5-6-19-14(26)9-23-8-7-20-17(23)24(28)29/h7-8,11-12,15H,1-6,9-10H2,(H,18,25)(H,19,26)(H2,21,22,27)/t11-,12-,15-/m0/s1
InChIKey BAGHCOOAQVJQFN-HUBLWGQQSA-N
Molecular Weight 439.491 g/mol
SMILES N(C(C[n]1c(N(=O)=O)ncc1)=O)CCNC(CCCC[C@]1([C@@]2([C@@](NC(N2)=O)(CS1)[H])[H])[H])=O
SPLASH splash10-002b-0951100000-2f5c2e9d27a2611ef321
Source of Spectrum E1-37-4355-5
Synonyms 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[[2-(2-nitro-1-imidazolyl)-1-oxoethyl]amino]ethyl]pentanamide 5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[[2-(2-nitroimidazol-1-yl)acetyl]amino]ethyl]pentanamide 5-[(3aS,4S,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]-N-[2-[2-(2-nitroimidazol-1-yl)ethanoylamino]ethyl]pentanamide
Wiley ID 1575443