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1,4,6,8-Tris[.beta.-(methoxycarbonyl)ethyl]2,3,5,7-tetrakis[(methoxycarbonyl)methyl]-8-(.beta.-carboxyethyl)-8'-(aminomethyl)bilane lactam
SpectraBase Compound ID 9S32HFniETR
InChI InChI=1S/C47H59N5O15/c1-61-41(54)13-8-25-23-48-33(29(25)16-44(57)64-4)20-36-30(17-45(58)65-5)26(10-14-42(55)62-2)34(50-36)21-37-31(18-46(59)66-6)27(11-15-43(56)63-3)35(51-37)22-38-32(19-47(60)67-7)28-9-12-40(53)49-24-39(28)52-38/h23,48,50-52H,8-22,24H2,1-7H3,(H,49,53)
InChIKey KSUYFTPMCGFJGA-UHFFFAOYSA-N
Mol Weight 934.0 g/mol
Molecular Formula C47H59N5O15
Exact Mass 933.400766 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JweYOos2kUU
Name 1,4,6,8-Tris[.beta.-(methoxycarbonyl)ethyl]2,3,5,7-tetrakis[(methoxycarbonyl)methyl]-8-(.beta.-carboxyethyl)-8'-(aminomethyl)bilane lactam
CAS Registry Number 75975-60-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C47H59N5O15
InChI InChI=1S/C47H59N5O15/c1-61-41(54)13-8-25-23-48-33(29(25)16-44(57)64-4)20-36-30(17-45(58)65-5)26(10-14-42(55)62-2)34(50-36)21-37-31(18-46(59)66-6)27(11-15-43(56)63-3)35(51-37)22-38-32(19-47(60)67-7)28-9-12-40(53)49-24-39(28)52-38/h23,48,50-52H,8-22,24H2,1-7H3,(H,49,53)
InChIKey KSUYFTPMCGFJGA-UHFFFAOYSA-N
Molecular Weight 934.009 g/mol
SMILES [nH]1c(Cc2c(c(c(Cc3c(c(CCC(=O)OC)c[nH]3)CC(=O)OC)[nH]2)CC(=O)OC)CCC(=O)OC)c(c(CCC(=O)OC)c1Cc1c(c2CCC(NCc2[nH]1)=O)CC(=O)OC)CC(=O)OC
SPLASH splash10-0729-0010900001-3fb545142ebec4817e63
Source of Spectrum J-46-866-0
Synonyms Methyl 3-[4-(2-methoxy-2-oxoethyl)-5-{[4-(2-methoxy-2-oxoethyl)-5-{[3-(2-methoxy-2-oxoethyl)-4-(3-methoxy-3-oxopropyl)-1H-pyrrol-2-yl]methyl}-3-(3-methoxy-3-oxopropyl)-1H-pyrrol-2-yl]methyl}-2-{[3-(2-methoxy-2-oxoethyl)-6-oxo-1H,4H,5H,6H,7H,8H-pyrrolo[2,3-c]azepin-2-yl]methyl}-1H-pyrrol-3-yl]propanoate
Wiley ID 1418186