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AG019FTD

37025-55-1 | Glycinamide, N-(4-mercapto-1-oxobutyl)-O-methyl-L-tyrosyl-L-isoleucyl-L-glutaminyl-L-asparaginyl-L-cysteinyl-L-prolyl-L-leucyl-, cyclic (1→5)-thioether

Chemical structure of Glycinamide, N-(4-mercapto-1-oxobutyl)-O-methyl-L-tyrosyl-L-isoleucyl-L-glutaminyl-L-asparaginyl-L-cysteinyl-L-prolyl-L-leucyl-, cyclic (1→5)-thioether, CAS 37025-55-1
AG019FTD
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CAS Number 37025-55-1
Catalog Number AG019FTD(AGN-PC-0RD65O)
Chemical Name Glycinamide, N-(4-mercapto-1-oxobutyl)-O-methyl-L-tyrosyl-L-isoleucyl-L-glutaminyl-L-asparaginyl-L-cysteinyl-L-prolyl-L-leucyl-, cyclic (1→5)-thioether
EC Number 253-312-6
IUPAC Name (2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-1-[(3R,6S,9S,12S,15S)-6-(2-amino-2-oxoethyl)-9-(3-amino-3-oxopropyl)-12-[(2S)-butan-2-yl]-15-[(4-methoxyphenyl)methyl]-5,8,11,14,17-pentaoxo-1-thia-4,7,10,13,16-pentazacycloicosane-3-carbonyl]pyrrolidine-2-carboxamide
InChI InChI=1S/C45H69N11O12S/c1-6-25(4)38-44(66)51-28(15-16-34(46)57)40(62)52-31(21-35(47)58)41(63)54-32(23-69-18-8-10-37(60)50-30(42(64)55-38)20-26-11-13-27(68-5)14-12-26)45(67)56-17-7-9-33(56)43(65)53-29(19-24(2)3)39(61)49-22-36(48)59/h11-14,24-25,28-33,38H,6-10,15-23H2,1-5H3,(H2,46,57)(H2,47,58)(H2,48,59)(H,49,61)(H,50,60)(H,51,66)(H,52,62)(H,53,65)(H,54,63)(H,55,64)/t25-,28-,29-,30-,31-,32-,33-,38-/m0/s1
InChI Key NSTRIRCPWQHTIA-DTRKZRJBSA-N
MDL Number MFCD01076600
Molecular Formula C45H69N11O12S
Molecular Weight 988.1609
SMILES C(=O)(N1[C@H](C(N[C@H](C(NCC(N)=O)=O)CC(C)C)=O)CCC1)[C@H]2NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@]([C@H](CC)C)(NC(=O)[C@H](CC3=CC=C(OC)C=C3)NC(=O)CCCSC2)[H]
UNII 88TWF8015Y
Synonyms
1-deamino-1-monocarba-2-(Tyr(OMe))-oxytocin, carbetocin, dcomot, Depotocin, oxytocin, 1-desamino-1-monocarba-(Tyr(OMe))(2)-, oxytocin, 1-desamino-1-monocarba-(tyrosine(O-methyl))(2)-, Carbetocin, Carbetocino, Carbetocinum, 37025-55-1, CHEBI:59204, Carbetocinum [INN-Latin], Carbetocino [INN-Spanish], UNII-88TWF8015Y, 88TWF8015Y, C45H69N11O12S, Carbetocin acetate, 1-Butyric acid-2-(3-(p-methoxyphenyl)-L-alanine)oxytocin, Carbetocin [INN:BAN], SCHEMBL39224, CHEMBL3301668, 1-Carbaoxytocin, 1-butanoic acid-2-(O-methyl-L-tyrosine)-, EINECS 253-312-6, 3524AH, BDBM50044677, MFCD01076600, AKOS015994647, ZINC150338703, CS-3117, DB01282, HS-2007, NCGC00485451-02, HY-17573, FT-0655793, 025C551, 1-Buttersaeure-2-(3-(4-methoxyphenyl)-L-alanin)oxytocin, 1-Carboxytocin, 1-butanoic acid-2-(O-methyl-L-tyrosine)-, (2S)-2-{[(2S)-1-{[(3R,6S,9S,12S,15S)-12-[(2S)-butan-2-yl]-9-(2-carbamoylethyl)-6-(carbamoylmethyl)-15-[(4-methoxyphenyl)methyl]-5,8,11,14,17-pentaoxo-1-thia-4,7,10,13,16-pentaazacycloicosan-3-yl]carbonyl}pyrrolidin-2-yl]formamido}-N-(carbamoylmethyl)-4-methylpentanamide, 1-{[(3R,6S,9S,12S,15S)-6-(2-amino-2-oxoethyl)-9-(3-amino-3-oxopropyl)-12-[(2S)-butan-2-yl]-15-(4-methoxybenzyl)-5,8,11,14,17-pentaoxo-1-thia-4,7,10,13,16-pentaazacycloicosan-3-yl]carbonyl}-L-prolyl-L-leucylglycinamide, Depotocin, dcomot, Duratocin, Pabal, ACN-049449, CS-O-01099, deamino-2-O-methyltyrosine-1-carbaoxytocin, 1-deamino-1-monocarba-2-(Tyr(OMe))-oxytocin, C020731, oxytocin, 1-desamino-1-monocarba-(Tyr(OMe))(2)-, 1-butanoic acid-2-(O-methyl-L-tyrosine)-1-carbaoxytocin, oxytocin, 1-desamino-1-monocarba-(tyrosine(O-methyl))(2)-, (BUTYRYL1,TYR(ME)2)-1-CARBAOXYTOCINTRIFLUOROACETATESALT, Butyryl-Tyr(Me)-Ile-Gln-Asn-Cys-Pro-Leu-Gly-NH2 (Sulfide bond between Butyryl-4-yl and Cys),

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    CERTIFICATE OF ANALYSIS
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    Conclusion: The above product meets the specifications of Angene.
    Analyst:Chase
    Date:
    Reviewed by:Jessie
    Date:
    Angene International Limited