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AG006AH8

90779-69-4 | 1-({(4r,7s,13s,16r)-7-(2-amino-2-oxoethyl)-13-[(2s)-butan-2-yl]-16-(4-ethoxybenzyl)-10-[(1r)-1-hydroxyethyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl}carbonyl)-l-prolyl-l-ornithylglycinamide

Chemical structure of 1-({(4r,7s,13s,16r)-7-(2-amino-2-oxoethyl)-13-[(2s)-butan-2-yl]-16-(4-ethoxybenzyl)-10-[(1r)-1-hydroxyethyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl}carbonyl)-l-prolyl-l-ornithylglycinamide, CAS 90779-69-4
AG006AH8
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CAS Number 90779-69-4
Catalog Number AG006AH8(AGN-PC-0VR4CS)
Chemical Name 1-({(4r,7s,13s,16r)-7-(2-amino-2-oxoethyl)-13-[(2s)-butan-2-yl]-16-(4-ethoxybenzyl)-10-[(1r)-1-hydroxyethyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl}carbonyl)-l-prolyl-l-ornithylglycinamide
IUPAC Name (2S)-N-[(2S)-5-amino-1-[(2-amino-2-oxoethyl)amino]-1-oxopentan-2-yl]-1-[(4R,7S,10S,13S,16R)-7-(2-amino-2-oxoethyl)-13-[(2S)-butan-2-yl]-16-[(4-ethoxyphenyl)methyl]-10-[(1R)-1-hydroxyethyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carboxamide
InChI InChI=1S/C43H67N11O12S2/c1-5-23(3)35-41(63)53-36(24(4)55)42(64)50-29(20-32(45)56)38(60)51-30(43(65)54-17-8-10-31(54)40(62)49-27(9-7-16-44)37(59)47-21-33(46)57)22-68-67-18-15-34(58)48-28(39(61)52-35)19-25-11-13-26(14-12-25)66-6-2/h11-14,23-24,27-31,35-36,55H,5-10,15-22,44H2,1-4H3,(H2,45,56)(H2,46,57)(H,47,59)(H,48,58)(H,49,62)(H,50,64)(H,51,60)(H,52,61)(H,53,63)/t23-,24+,27-,28+,29-,30-,31-,35-,36-/m0/s1
InChI Key VWXRQYYUEIYXCZ-OBIMUBPZSA-N
MDL Number MFCD00672436
Molecular Formula C43H67N11O12S2
Molecular Weight 994.1886
SMILES NCCC[C@@H](C(=O)NCC(=O)N)NC(=O)[C@H]1N(CCC1)C(=O)[C@@H]1CSSCCC(N[C@@H](C(N[C@H](C(N[C@H](C(N[C@H](C(N1)=O)CC(=O)N)=O)[C@@H](C)O)=O)[C@@H](C)CC)=O)CC1=CC=C(C=C1)OCC)=O
UNII 081D12SI0Z
Synonyms
(Mpa(1),D-Tyr(Et)2,Thr(4),Orn(8))oxytocin, (Mpa(1)-D-Tyr(Et)(2)-Thr(4)-Orn(8))-oxytocin, 1-deamino-2-Tyr(OEt)-4-Thr-8-Orn-oxytocin, atosiban, ORF 22164, ORF-22164, oxytocin, 1-deamino-(O-Et-Tyr)(2)-Thr(4)-Orn(8)-, oxytocin, 1-deamino-O-ethyltyrosyl(2)-threonyl(4)-ornithine(8)-, RWJ 22164, RWJ-22164, Atosiban, Tractocile, 90779-69-4, Atosiban acetate, Antocin, UNII-081D12SI0Z, Orf-22164, Rwj 22164, RWJ-22164, CHEMBL382301, 1-Deamino-2D-tyr-(OEt)-4-thr-8-orn-oxytocin, 081D12SI0Z, dTVT, 1-Deamino-2-D-Tyr-(O-ethyl)-4-Thr-8-ornoxytocin, 1-(3-Mercaptopropanoic acid)-2-(O-ethyl-D-tyrosine)-4-L-threonine-8-L-ornithineoxytocin, NCGC00165718-01, Atosibanum [INN-Latin], RWJ22164, ORF 22164, deTVT, Atosibanum, Antocin II, Atosiban [USAN:INN:BAN], 1-(3-Mercaptopropionic acid)-2-(3-(p-ethoxyphenyl)-D-alanine)-4-L-threonine-8-L-ornithineoxytocin, C43H67N11O12S2, AC1NSJTQ, DSSTox_CID_28917, DSSTox_RID_83184, DSSTox_GSID_48991, SCHEMBL34316, Atosiban Acetate(Tractocile)/, d[D-Tyr(Et)2,Thr4]OVT, ChEMBL_332615, GTPL2213, Atosiban, >=98% (HPLC), DTXSID8048991, CAP-440, CAP-476, CHEBI:135899, Oxytocin, 1-(3-mercaptopropanoic acid)-2-(O-ethyl-D-tyrosine)-4-L-threonine-8-L-ornithine-, VWXRQYYUEIYXCZ-OBIMUBPZSA-N, ORF22164, Tox21_113474, ABP000563, BDBM50177595, CA-474, d[D-Tyr(Et)2,Thr4,Orn8]vasotocin, MFCD00672436, AKOS015994643, ZINC169362009, HS-2003, NCGC00165718-02, K656, CAS-90779-69-4, FT-0652583, 79A694, A14334, [mpr-d-tyr(oet)-ile-thr-asn-cys]-pro-orn-gly-nh2, oxytocin,1-(3-mercaptopropanoicacid)-2-(o-ethyl-d-tyrosine)-4-l-threonine-8-l, (2S)-5-amino-2-{[(2S)-1-{[(4R,7S,10S,13S,16R)-13-[(2S)-butan-2-yl]-7-(carbamoylmethyl)-16-[(4-ethoxyphenyl)methyl]-10-[(1R)-1-hydroxyethyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]carbonyl}pyrrolidin-2-yl]formamido}-N-(carbamoylmethyl)pentanamide, (2S)-N-[(2S)-5-amino-1-[(2-amino-2-oxoethyl)amino]-1-oxopentan-2-yl]-1-[(4R,7S,10S,13S,16R)-7-(2-amino-2-oxoethyl)-13-[(2S)-butan-2-yl]-16-[(4-ethoxyphenyl)methyl]-10-(1-hydroxyethyl)-6,9,12,15,18-pentaoxo1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carboxamide, (2S)-N-[(2S)-5-amino-1-[(2-amino-2-oxoethyl)amino]-1-oxopentan-2-yl]-1-[(4R,7S,10S,13S,16R)-7-(2-amino-2-oxoethyl)-13-[(2S)-butan-2-yl]-16-[(4-ethoxyphenyl)methyl]-10-[(1R)-1-hydroxyethyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carboxamide, 1-(3-mercaptopropionic acid)-2-(3-(p-ethoxyphenyl)-d-alanine)-4-l-thre onine-8-l-ornithineoxytocin, tractocil, Atosiban [USAN:INN], D0D8XY, ACN-049448, CID5311010, RW22164, C43-H67-N11-O12-S2, B3631, 1-deamino-2-Tyr(OEt)-4-Thr-8-Orn-oxytocin, (Mpa(1),D-Tyr(Et)2,Thr(4),Orn(8))oxytocin, C047046, Mpa-D-Tyr(ET)-Ile-Thr-Asn-Cys-Pro-Orn-Gly-NH2, (Mpa(1)-D-Tyr(Et)(2)-Thr(4)-Orn(8))-oxytocin, oxytocin, 1-deamino-(O-Et-Tyr)(2)-Thr(4)-Orn(8)-, oxytocin, 1-deamino-O-ethyltyrosyl(2)-threonyl(4)-ornithine(8)-, (2S)-N-[(1S)-4-Amino-1-(carbamoylmethylcarbamoyl)butyl]-1-[(4S,7S,13S,16R)-13-[(2S)-butan-2-yl]-7-(carbamoylmethyl)-16-[(4-ethoxyphenyl)methyl]-10-(1-hydroxyethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carboxamide, na,

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    CERTIFICATE OF ANALYSIS
    Chemical Name: Batch Number:
    Chemical Structure: CAS Registry No:
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    Conclusion: The above product meets the specifications of Angene.
    Analyst:Chase
    Date:
    Reviewed by:Jessie
    Date:
    Angene International Limited