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L-N^2-{N-{1-{N-{N-{N-[1-(1-L-LYSYL-L-PROLYL)-L-PROLYL]GLYCYL}-3-PHENYL-L-ALANYL}-L-SERYL}-L-PROLYL}-3-PHENYL-L-ALANYL}ARGININE, DIACETATE (SALT), HEMIACETATE (SOLVATE), TETRAHYDRATE

View entire compound with spectra: 1 FTIR

L-N^2-{N-{1-{N-{N-{N-[1-(1-L-LYSYL-L-PROLYL)-L-PROLYL]GLYCYL}-3-PHENYL-L-ALANYL}-L-SERYL}-L-PROLYL}-3-PHENYL-L-ALANYL}ARGININE, DIACETATE (SALT), HEMIACETATE (SOLVATE), TETRAHYDRATE
SpectraBase Compound ID 59ixWOOFHy3
InChI InChI=1S/C50H73N13O11.3C2H4O2.4H2O/c51-22-8-7-17-33(52)46(70)63-26-12-21-40(63)48(72)62-25-10-19-38(62)44(68)56-29-41(65)57-35(27-31-13-3-1-4-14-31)42(66)60-37(30-64)47(71)61-24-11-20-39(61)45(69)59-36(28-32-15-5-2-6-16-32)43(67)58-34(49(73)74)18-9-23-55-50(53)54;3*1-2(3)4;;;;/h1-6,13-16,33-40,64H,7-12,17-30,51-52H2,(H,56,68)(H,57,65)(H,58,67)(H,59,69)(H,60,66)(H,73,74)(H4,53,54,55);3*1H3,(H,3,4);4*1H2/t33-,34-,35-,36-,37-,38-,39-,40-;;;;;;;/m0......./s1
InChIKey PAFZNALYEBCWOO-NVQKUONBSA-N
Mol Weight 1254.4 g/mol
Molecular Formula C54H89N13O19·½C2H4O2
Exact Mass 1253.650332 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 6JS1RQkvhMJ
Name L-N^2-{N-{1-{N-{N-{N-[1-(1-L-LYSYL-L-PROLYL)-L-PROLYL]GLYCYL}-3-PHENYL-L-ALANYL}-L-SERYL}-L-PROLYL}-3-PHENYL-L-ALANYL}ARGININE, DIACETATE (SALT), HEMIACETATE (SOLVATE), TETRAHYDRATE
Source of Sample E. Schroeder, Schering AG, Berlin, Germany
Copyright Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C110H182N26O40
InChI InChI=1S/C50H73N13O11.3C2H4O2.4H2O/c51-22-8-7-17-33(52)46(70)63-26-12-21-40(63)48(72)62-25-10-19-38(62)44(68)56-29-41(65)57-35(27-31-13-3-1-4-14-31)42(66)60-37(30-64)47(71)61-24-11-20-39(61)45(69)59-36(28-32-15-5-2-6-16-32)43(67)58-34(49(73)74)18-9-23-55-50(53)54;3*1-2(3)4;;;;/h1-6,13-16,33-40,64H,7-12,17-30,51-52H2,(H,56,68)(H,57,65)(H,58,67)(H,59,69)(H,60,66)(H,73,74)(H4,53,54,55);3*1H3,(H,3,4);4*1H2/t33-,34-,35-,36-,37-,38-,39-,40-;;;;;;;/m0......./s1
InChIKey PAFZNALYEBCWOO-NVQKUONBSA-N
Literature Reference Abstract-Chemical Abstracts= 61, 4477(1964)
Molecular Weight 2508.81
Synonyms BRADYKININ, 1-LYSINE, DIACETATE /SALT/, HEMIACETATE /SOLVATE/, TETRA- HYDRATE ARGININE, N<2-/N-/1-/N-/N-/N-/1-/1- L-LYSYL-L-PROLYL/-L-PROLYL/GLYCYL/-3- PHENYL-L-ALANYL/-L-SERYL/-L-PROLYL/-3- PHENYL-L-ALANYL/-, DIACETATE /SALT/, HEMIACETATE /SOLVATE/, TETRAHYDRATE,
Technique KBr WAFER