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Acetamide, N-[3-(acetylamino)propyl]-N-[4-[15-(acetyloxy)-2-[(4-methoxyphenyl)me thyl]-3,9-dioxo-4,8-diazabicyclo[10.3.1]hexadeca-1(16),12,14-trien-4- yl]butyl]-, (S)-
SpectraBase Compound ID Fyv1tJbsXyR
InChI InChI=1S/C35H48N4O7/c1-24(29-11-13-30(45-5)14-12-29)34-31-23-28(9-15-32(31)46-27(4)42)10-16-33(43)37-18-22-39(35(34)44)20-7-6-19-38(26(3)41)21-8-17-36-25(2)40/h9,11-15,23-24,34H,6-8,10,16-22H2,1-5H3,(H,36,40)(H,37,43)/t24-,34-/m0/s1
InChIKey BQRRLCNKIPRBTB-WOPWWUTRSA-N
Mol Weight 636.8 g/mol
Molecular Formula C35H48N4O7
Exact Mass 636.3523 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID gqxnlun8RA
Name Acetamide, N-[3-(acetylamino)propyl]-N-[4-[15-(acetyloxy)-2-[(4-methoxyphenyl)me thyl]-3,9-dioxo-4,8-diazabicyclo[10.3.1]hexadeca-1(16),12,14-trien-4- yl]butyl]-, (S)-
CAS Registry Number 73710-89-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H48N4O7
InChI InChI=1S/C35H48N4O7/c1-24(29-11-13-30(45-5)14-12-29)34-31-23-28(9-15-32(31)46-27(4)42)10-16-33(43)37-18-22-39(35(34)44)20-7-6-19-38(26(3)41)21-8-17-36-25(2)40/h9,11-15,23-24,34H,6-8,10,16-22H2,1-5H3,(H,36,40)(H,37,43)/t24-,34-/m0/s1
InChIKey BQRRLCNKIPRBTB-WOPWWUTRSA-N
Molecular Weight 636.790 g/mol
SMILES N1C(CCc2ccc(c([C@@](C(N(CCCCN(CCCNC(=O)C)C(=O)C)CC1)=O)([C@](c1ccc(cc1)OC)(C)[H])[H])c2)OC(=O)C)=O
SPLASH splash10-00di-1920122000-cf563f032b4ac2a7cd4a
Source of Spectrum H-62-2722-0
Synonyms (2S)-4-(4-{acetyl[3-(acetylamino)propyl]amino}butyl)-2-[(1R)-1-(4-methoxyphenyl)ethyl]-3,8-dioxo-4,7-diazabicyclo[9.3.1]pentadeca-1(15),11,13-trien-14-yl acetate 4,8-Diazabicyclo[10.3.1]hexadecane, acetamide deriv. N(6),n(10),o(16)-triacetyl-o(34)-methyl-10,11:16,17-diseco-orantin N,N',O-triacetyl-O-methyl-10,11:16,17-disecoorantine
Wiley ID 1412394