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2-(16-[2-Amino-3-(1H-indol-3-yl)propanoyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecan-7-yl)-1-(1H-indol-3-ylmethyl)-2-oxoethylamine
SpectraBase Compound ID 79SNrGmyykg
InChI InChI=1S/C34H46N6O6/c35-29(21-25-23-37-31-7-3-1-5-27(25)31)33(41)39-9-13-43-17-19-45-15-11-40(12-16-46-20-18-44-14-10-39)34(42)30(36)22-26-24-38-32-8-4-2-6-28(26)32/h1-8,23-24,29-30,37-38H,9-22,35-36H2
InChIKey YXCOBZPCCNBLPX-UHFFFAOYSA-N
Mol Weight 634.8 g/mol
Molecular Formula C34H46N6O6
Exact Mass 634.347883 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 46YvmY1G6mJ
Name 2-(16-[2-Amino-3-(1H-indol-3-yl)propanoyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadecan-7-yl)-1-(1H-indol-3-ylmethyl)-2-oxoethylamine
CAS Registry Number 93767-79-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H46N6O6
InChI InChI=1S/C34H46N6O6/c35-29(21-25-23-37-31-7-3-1-5-27(25)31)33(41)39-9-13-43-17-19-45-15-11-40(12-16-46-20-18-44-14-10-39)34(42)30(36)22-26-24-38-32-8-4-2-6-28(26)32/h1-8,23-24,29-30,37-38H,9-22,35-36H2
InChIKey YXCOBZPCCNBLPX-UHFFFAOYSA-N
Molecular Weight 634.778 g/mol
SMILES [nH]1c2ccccc2c(CC(C(N2CCOCCOCCN(C(C(Cc3c[nH]c4ccccc34)N)=O)CCOCCOCC2)=O)N)c1
SPLASH splash10-01q9-4921000000-c764bc4def739367ba0a
Source of Spectrum W5-1989-37193-28343
Synonyms (S,S)-Bistryptophyldiaza-18-crown-6 2-Amino-1-[16-[2-amino-3-(1H-indol-3-yl)-1-oxopropyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-3-(1H-indol-3-yl)-1-propanone 2-Amino-1-[16-[2-amino-3-(1H-indol-3-yl)propanoyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-3-(1H-indol-3-yl)propan-1-one 2-Azanyl-1-[16-[2-azanyl-3-(1H-indol-3-yl)propanoyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-3-(1H-indol-3-yl)propan-1-one
Wiley ID 1412290