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L-(-)-N^2-{N-{1-{N-{N-{N-[1-(1-L-ARGINYL-L-PROLYL)-L-PROLYL]GLYCYL}-3-PHENYL-L-ALANYL}GLYCYL}-L-PROLYL}-3-PHENYL-L-ALANYL}ARGININE, DIACETATE, PENTAHYDRATE
SpectraBase Compound ID 5QrqmA8RXUw
InChI InChI=1S/C49H71N15O10.2C2H4O2.5H2O/c50-32(16-7-21-55-48(51)52)45(71)64-25-11-20-38(64)46(72)63-24-10-18-36(63)43(69)57-28-39(65)59-34(26-30-12-3-1-4-13-30)41(67)58-29-40(66)62-23-9-19-37(62)44(70)61-35(27-31-14-5-2-6-15-31)42(68)60-33(47(73)74)17-8-22-56-49(53)54;2*1-2(3)4;;;;;/h1-6,12-15,32-38H,7-11,16-29,50H2,(H,57,69)(H,58,67)(H,59,65)(H,60,68)(H,61,70)(H,73,74)(H4,51,52,55)(H4,53,54,56);2*1H3,(H,3,4);5*1H2/t32-,33-,34-,35-,36-,37-,38-;;;;;;;/m0......./s1
InChIKey DBUBEFXXESRQBH-WKJUIMOOSA-N
Mol Weight 1240.381 g/mol
Molecular Formula C53H89N15O19
Exact Mass 1239.645916 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID KUesQ3h7e4R
Name L-(-)-N^2-{N-{1-{N-{N-{N-[1-(1-L-ARGINYL-L-PROLYL)-L-PROLYL]GLYCYL}-3-PHENYL-L-ALANYL}GLYCYL}-L-PROLYL}-3-PHENYL-L-ALANYL}ARGININE, DIACETATE, PENTAHYDRATE
Source of Sample E. Schroeder, Schering AG, Berlin, Germany
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C53H89N15O19
InChI InChI=1S/C49H71N15O10.2C2H4O2.5H2O/c50-32(16-7-21-55-48(51)52)45(71)64-25-11-20-38(64)46(72)63-24-10-18-36(63)43(69)57-28-39(65)59-34(26-30-12-3-1-4-13-30)41(67)58-29-40(66)62-23-9-19-37(62)44(70)61-35(27-31-14-5-2-6-15-31)42(68)60-33(47(73)74)17-8-22-56-49(53)54;2*1-2(3)4;;;;;/h1-6,12-15,32-38H,7-11,16-29,50H2,(H,57,69)(H,58,67)(H,59,65)(H,60,68)(H,61,70)(H,73,74)(H4,51,52,55)(H4,53,54,56);2*1H3,(H,3,4);5*1H2/t32-,33-,34-,35-,36-,37-,38-;;;;;;;/m0......./s1
InChIKey DBUBEFXXESRQBH-WKJUIMOOSA-N
Literature Reference Abstract-Chemical Abstracts= 61, 4472(1964)
Molecular Weight 1240.380981
Optical Properties Optical Rotation= (22C) -79.6 DEG (c=0.5, WATER)
Synonyms ARGININE, N<2-/N-/1-/N-/N-/N-/1-/1- L-ARGINYL-L-PROLYL/-L-PROLYL/GLYCYL/-3- PHENYL-L-ALANYL/GLYCYL/-L-PROLYL/-3- PHENYL-L-ALANYL/-, DIACETATE, PENTA- HYDRATE, L-/MINUS/-, BRADYKININ, 6-GLYCINE, DIACETATE, PENTAHYDRATE, /MINUS/-,
Technique KBr WAFER