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2-Amino-N-[2-((1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-2-phenylethyl)amino)-1-benzyl-2-oxoethyl]-3-phenylpropanamide
SpectraBase Compound ID 5F5koKlvewF
InChI InChI=1S/C31H36N8O2/c1-39(2)31-37-27(36-30(33)38-31)25(19-22-14-8-4-9-15-22)34-29(41)26(20-23-16-10-5-11-17-23)35-28(40)24(32)18-21-12-6-3-7-13-21/h3-17,24-26H,18-20,32H2,1-2H3,(H,34,41)(H,35,40)(H2,33,36,37,38)
InChIKey MVQDMVSDWWLBQA-UHFFFAOYSA-N
Mol Weight 552.7 g/mol
Molecular Formula C31H36N8O2
Exact Mass 552.296122 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FRjTQUq89fU
Name 2-Amino-N-[2-((1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-2-phenylethyl)amino)-1-benzyl-2-oxoethyl]-3-phenylpropanamide
CAS Registry Number 57227-01-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H36N8O2
InChI InChI=1S/C31H36N8O2/c1-39(2)31-37-27(36-30(33)38-31)25(19-22-14-8-4-9-15-22)34-29(41)26(20-23-16-10-5-11-17-23)35-28(40)24(32)18-21-12-6-3-7-13-21/h3-17,24-26H,18-20,32H2,1-2H3,(H,34,41)(H,35,40)(H2,33,36,37,38)
InChIKey MVQDMVSDWWLBQA-UHFFFAOYSA-N
Molecular Weight 552.683 g/mol
SMILES N(C(c1nc(N)nc(n1)N(C)C)Cc1ccccc1)C(C(Cc1ccccc1)NC(C(Cc1ccccc1)N)=O)=O
SPLASH splash10-00r6-5971100000-982fe4fcff5e35618057
Source of Spectrum O-13-6-1
Synonyms 2-Amino-N-[1-[[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-2-phenylethyl]amino]-1-oxo-3-phenylpropan-2-yl]-3-phenylpropanamide 2-Amino-N-[2-[[1-[4-amino-6-(dimethylamino)-s-triazin-2-yl]-2-phenyl-ethyl]amino]-1-benzyl-2-keto-ethyl]-3-phenyl-propionamide 2-Azanyl-N-[1-[[1-[4-azanyl-6-(dimethylamino)-1,3,5-triazin-2-yl]-2-phenyl-ethyl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]-3-phenyl-propanamide
Wiley ID 1405978