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N^2-{N-{1-{N-{N-{N-[N-(1-L-ARGINYL-L-PROLYL)-L-ALANYL]GLYCYL}-3-PHENYL-L-ALANYL}-L-SERYL}-L-PROLYL}-3-PHENYL-L-ALANYL}ARGININE, DIACETATE (SALT), HYDRATED

View entire compound with spectra: 1 FTIR

N^2-{N-{1-{N-{N-{N-[N-(1-L-ARGINYL-L-PROLYL)-L-ALANYL]GLYCYL}-3-PHENYL-L-ALANYL}-L-SERYL}-L-PROLYL}-3-PHENYL-L-ALANYL}ARGININE, DIACETATE (SALT), HYDRATED
SpectraBase Compound ID 92PesuMHYP0
InChI InChI=1S/C48H71N15O11.2C2H4O2.4H2O/c1-28(57-42(69)36-18-10-22-62(36)44(71)31(49)16-8-20-54-47(50)51)39(66)56-26-38(65)58-33(24-29-12-4-2-5-13-29)40(67)61-35(27-64)45(72)63-23-11-19-37(63)43(70)60-34(25-30-14-6-3-7-15-30)41(68)59-32(46(73)74)17-9-21-55-48(52)53;2*1-2(3)4;;;;/h2-7,12-15,28,31-37,64H,8-11,16-27,49H2,1H3,(H,56,66)(H,57,69)(H,58,65)(H,59,68)(H,60,70)(H,61,67)(H,73,74)(H4,50,51,54)(H4,52,53,55);2*1H3,(H,3,4);4*1H2/t28-,31-,32-,33-,34-,35-,36-,37-;;;;;;/m0....../s1
InChIKey CJQDEDXLVJCISY-NWFQOEOGSA-N
Mol Weight 1235.361 g/mol
Molecular Formula C52H88N15O19.5
Exact Mass 1234.635548 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID F1Hnm8wpS8i
Name N^2-{N-{1-{N-{N-{N-[N-(1-L-ARGINYL-L-PROLYL)-L-ALANYL]GLYCYL}-3-PHENYL-L-ALANYL}-L-SERYL}-L-PROLYL}-3-PHENYL-L-ALANYL}ARGININE, DIACETATE (SALT), HYDRATED
Source of Sample E. Schroeder, Schering AG, Berlin, Germany
Copyright Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C104H176N30O39
InChI InChI=1S/C48H71N15O11.2C2H4O2.4H2O/c1-28(57-42(69)36-18-10-22-62(36)44(71)31(49)16-8-20-54-47(50)51)39(66)56-26-38(65)58-33(24-29-12-4-2-5-13-29)40(67)61-35(27-64)45(72)63-23-11-19-37(63)43(70)60-34(25-30-14-6-3-7-15-30)41(68)59-32(46(73)74)17-9-21-55-48(52)53;2*1-2(3)4;;;;/h2-7,12-15,28,31-37,64H,8-11,16-27,49H2,1H3,(H,56,66)(H,57,69)(H,58,65)(H,59,68)(H,60,70)(H,61,67)(H,73,74)(H4,50,51,54)(H4,52,53,55);2*1H3,(H,3,4);4*1H2/t28-,31-,32-,33-,34-,35-,36-,37-;;;;;;/m0....../s1
InChIKey CJQDEDXLVJCISY-NWFQOEOGSA-N
Molecular Weight 2470.72
Synonyms BRADYKININ, 3-ALANINE, DIACETATE (SALT), HYDRATED ARGININE, N<2-/N-/1-/N-/N-/N-/N-/1- L-ARGINYL-L-PROLYL/-L-ALANYL/GLYCYL/-3- PHENYL-L-ALANYL/-L-SERYL/-L-PROLYL/-3- PHENYL-L-ALANYL/-, DIACETATE /SALT/, HYDRATED BRADYKININ, 3-ALANINE, DIACETATE /SALT/, HYDRATED
Technique KBr WAFER