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N5-(Diaminomethylene)ornithylprolylprolylglycylphenylalanylserylprolyl-N-{1-chloro-6-[(diaminomethylene)amino]-2-oxo-3-hexanyl}phenylalaninamide trihydrochloride
[CAS# 86807-97-8]

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CAS#: 86807-97-8
Product: N5-(Diaminomethylene)ornithylprolylprolylglycylphenylalanylserylprolyl-N-{1-chloro-6-[(diaminomethylene)amino]-2-oxo-3-hexanyl}phenylalaninamide trihydrochloride
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Identification
Name N5-(Diaminomethylene)ornithylprolylprolylglycylphenylalanylserylprolyl-N-{1-chloro-6-[(diaminomethylene)amino]-2-oxo-3-hexanyl}phenylalaninamide trihydrochloride
Synonyms Bradykinin chloromethyl ketone
Molecular Structure CAS#: 86807-97-8, N<sup>5</sup>-(Diaminomethylene)ornithylprolylprolylglycylphenylalanylserylprolyl-N-{1-chloro-6-[(diaminomethylene)amino]-2-oxo-3-hexanyl}phenylalaninamide trihydrochloride
Molecular Formula C51H77Cl4N15O10
Molecular Weight 1202.06
CAS Registry Number 86807-97-8
SMILES O=C(NC(C(=O)NC(C(=O)CCl)CCC/N=C(\N)N)Cc1ccccc1)C5N(C(=O)C(NC(=O)C(NC(=O)CNC(=O)C3N(C(=O)C2N(C(=O)C(N)CCC/N=C(\N)N)CCC2)CCC3)Cc4ccccc4)CO)CCC5.Cl.Cl.Cl
InChI 1S/C51H74ClN15O10.3ClH/c52-28-41(69)34(17-8-22-59-51(56)57)62-44(72)36(27-32-14-5-2-6-15-32)63-46(74)39-19-10-23-65(39)48(76)37(30-68)64-43(71)35(26-31-12-3-1-4-13-31)61-42(70)29-60-45(73)38-18-9-24-66(38)49(77)40-20-11-25-67(40)47(75)33(53)16-7-21-58-50(54)55;;;/h1-6,12-15,33-40,68H,7-11,16-30,53H2,(H,60,73)(H,61,70)(H,62,72)(H,63,74)(H,64,71)(H4,54,55,58)(H4,56,57,59);3*1H
InChIKey BJJKGUMJXWAHRS-UHFFFAOYSA-N
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