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aspartocin (4117-65-1)

Identification
Name:aspartocin
Synonyms:Aspartocin [USAN:INN];4-Asparagine oxytocin;A 8999;Aspartocin;Aspartocina;Aspartocina [INN-Spanish];Aspartocine;Aspartocine [INN-French];Aspartocinum;Aspartocinum [INN-Latin];Oxytocin, 4-L-asparagine-;1-{[(7S,10S,16S,19R)-19-amino-7,10-bis(2-amino-2-oxoethyl)-13-[(2S)-butan-2-yl]-16-(4-hydroxybenzyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]carbonyl}prolyl-L-leucylglycinamide;1-{[(4R,7S,10S,13S,16S,19R)-19-amino-7,10-bis(2-amino-2-oxoethyl)-13-[(2S)-butan-2-yl]-16-(4-hydroxybenzyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]carbonyl}-L-prolyl-L-leucylglycinamide
CAS:4117-65-1
Molecular Formula: C42H64N12O12S2
Molecular Weight: 993.1608
InChI: InChI=1/C42H64N12O12S2/c1-5-21(4)34-41(65)51-28(16-32(45)57)37(61)49-27(15-31(44)56)38(62)52-29(19-68-67-18-24(43)35(59)48-26(39(63)53-34)14-22-8-10-23(55)11-9-22)42(66)54-12-6-7-30(54)40(64)50-25(13-20(2)3)36(60)47-17-33(46)58/h8-11,20-21,24-30,34,55H,5-7,12-19,43H2,1-4H3,(H2,44,56)(H2,45,57)(H2,46,58)(H,47,60)(H,48,59)(H,49,61)(H,50,64)(H,51,65)(H,52,62)(H,53,63)/t21-,24-,25-,26-,27-,28-,29-,30-,34-/m0/s1
Molecular Structure: (C42H64N12O12S2) Aspartocin [USAN:INN];4-Asparagine oxytocin;A 8999;Aspartocin;Aspartocina;Aspartocina [INN-Spanish];...
Properties
Flash Point: 884.064°C
Boiling Point: 1538.187°C at 760 mmHg
Density:1.279g/cm3
Refractive index:1.556
Flash Point: 884.064°C
Safety Data
 

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