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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}LYSINE, DIACETATE (SALT) TRIHYDRATE

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}LYSINE, DIACETATE (SALT) TRIHYDRATE
SpectraBase Compound ID 2F55ZHVnSNx
InChI InChI=1S/C50H73N11O11.2C2H4O2.3H2O/c51-23-9-7-18-34(53)47(68)61-27-13-22-41(61)49(70)60-26-11-20-39(60)45(66)54-30-42(63)55-36(28-32-14-3-1-4-15-32)43(64)58-38(31-62)48(69)59-25-12-21-40(59)46(67)57-37(29-33-16-5-2-6-17-33)44(65)56-35(50(71)72)19-8-10-24-52;2*1-2(3)4;;;/h1-6,14-17,34-41,62H,7-13,18-31,51-53H2,(H,54,66)(H,55,63)(H,56,65)(H,57,67)(H,58,64)(H,71,72);2*1H3,(H,3,4);3*1H2/t34-,35-,36-,37-,38-,39-,40-,41-;;;;;/m0...../s1
InChIKey AMNQNJSEVQDOOQ-DQDAGFDCSA-N
Mol Weight 1178.3 g/mol
Molecular Formula C54H87N11O18
Exact Mass 1177.623055 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID C3dXKhyS1zC
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}LYSINE, DIACETATE (SALT) TRIHYDRATE
Source of Sample E. Schroeder, Schering AG, Berlin, Germany
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C54H87N11O18
InChI InChI=1S/C50H73N11O11.2C2H4O2.3H2O/c51-23-9-7-18-34(53)47(68)61-27-13-22-41(61)49(70)60-26-11-20-39(60)45(66)54-30-42(63)55-36(28-32-14-3-1-4-15-32)43(64)58-38(31-62)48(69)59-25-12-21-40(59)46(67)57-37(29-33-16-5-2-6-17-33)44(65)56-35(50(71)72)19-8-10-24-52;2*1-2(3)4;;;/h1-6,14-17,34-41,62H,7-13,18-31,51-53H2,(H,54,66)(H,55,63)(H,56,65)(H,57,67)(H,58,64)(H,71,72);2*1H3,(H,3,4);3*1H2/t34-,35-,36-,37-,38-,39-,40-,41-;;;;;/m0...../s1
InChIKey AMNQNJSEVQDOOQ-DQDAGFDCSA-N
Literature Reference Abstract-Chemical Abstracts= 61, 4477(1964)
Molecular Weight 1178.348999
Synonyms BRADYKININ, 1-LYSINE-9-LYSINE, DIACETATE /SALT/, TRIHYDRATE BRADYKININ, 1-LYSINE-9-LYSINE, DIACETATE (SALT), TRIHYDRATE LYSINE, 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/, TRIHYDRATE, L-/MINUS/-,
Technique KBr WAFER