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

Ref. IN-DA006AH8

Product Information

• 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
• Synonyms: [u'(Mpa(1),D-Tyr(Et)2,Thr(4),Orn(8))oxytocin', u'(Mpa(1)-D-Tyr(Et)(2)-Thr(4)-Orn(8))-oxytocin', u'1-deamino-2-Tyr(OEt)-4-Thr-8-Orn-oxytocin', u'atosiban', u'ORF 22164', u'ORF-22164', u'oxytocin, 1-deamino-(O-Et-Tyr)(2)-Thr(4)-Orn(8)-', u'oxytocin, 1-deamino-O-ethyltyrosyl(2)-threonyl(4)-ornithine(8)-', u'RWJ 22164', u'RWJ-22164', u'Atosiban', u'Tractocile', u'90779-69-4', u'Atosiban acetate', u'Antocin', u'UNII-081D12SI0Z', u'Orf-22164', u'Rwj 22164', u'RWJ-22164', u'CHEMBL382301', u'1-Deamino-2D-tyr-(OEt)-4-thr-8-orn-oxytocin', u'081D12SI0Z', u'dTVT', u'1-Deamino-2-D-Tyr-(O-ethyl)-4-Thr-8-ornoxytocin', u'1-(3-Mercaptopropanoic acid)-2-(O-ethyl-D-tyrosine)-4-L-threonine-8-L-ornithineoxytocin', u'NCGC00165718-01', u'Atosibanum [INN-Latin]', u'RWJ22164', u'ORF 22164', u'deTVT', u'Atosibanum', u'Antocin II', u'Atosiban [USAN:INN:BAN]', u'1-(3-Mercaptopropionic acid)-2-(3-(p-ethoxyphenyl)-D-alanine)-4-L-threonine-8-L-ornithineoxytocin', u'C43H67N11O12S2', u'AC1NSJTQ', u'DSSTox_CID_28917', u'DSSTox_RID_83184', u'DSSTox_GSID_48991', u'SCHEMBL34316', u'Atosiban Acetate(Tractocile)/', u'd[D-Tyr(Et)2,Thr4]OVT', u'ChEMBL_332615', u'GTPL2213', u'Atosiban, >=98% (HPLC)', u'DTXSID8048991', u'CAP-440', u'CAP-476', u'CHEBI:135899', u'Oxytocin, 1-(3-mercaptopropanoic acid)-2-(O-ethyl-D-tyrosine)-4-L-threonine-8-L-ornithine-', u'VWXRQYYUEIYXCZ-OBIMUBPZSA-N', u'ORF22164', u'Tox21_113474', u'ABP000563', u'BDBM50177595', u'CA-474', u'd[D-Tyr(Et)2,Thr4,Orn8]vasotocin', u'MFCD00672436', u'AKOS015994643', u'ZINC169362009', u'HS-2003', u'NCGC00165718-02', u'K656', u'CAS-90779-69-4', u'FT-0652583', u'79A694', u'A14334', u'[mpr-d-tyr(oet)-ile-thr-asn-cys]-pro-orn-gly-nh2', u'oxytocin,1-(3-mercaptopropanoicacid)-2-(o-ethyl-d-tyrosine)-4-l-threonine-8-l', u'(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', u'(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', u'(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', u'1-(3-mercaptopropionic acid)-2-(3-(p-ethoxyphenyl)-d-alanine)-4-l-thre onine-8-l-ornithineoxytocin', u'tractocil', u'Atosiban [USAN:INN]', u'D0D8XY', u'ACN-049448', u'CID5311010', u'RW22164', u'C43-H67-N11-O12-S2', u'B3631', u'1-deamino-2-Tyr(OEt)-4-Thr-8-Orn-oxytocin', u'(Mpa(1),D-Tyr(Et)2,Thr(4),Orn(8))oxytocin', u'C047046', u'Mpa-D-Tyr(ET)-Ile-Thr-Asn-Cys-Pro-Orn-Gly-NH2'], Atosiban [USAN:INN], Rwj 22164, 1-(3-Mercaptopropionic acid)-2-(3-(p-ethoxyphenyl)-D-alanine)-4-L-threonine-8-L-ornithineoxytocin, 1-Deamino-2D-tyr-(OEt)-4-thr-8-orn-oxytocin, Atosibanum, Atosibanum [INN-Latin], Orf 22164, Tractocile, Unii-081D12Si0Z, Oxytocin, 1-(3-mercaptopropanoic acid)-2-(O-ethyl-D-tyrosine)-4-L-threonine-8-L-ornithine-, 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
• Brand: Indagoo

Chemical properties

• Molecular weight: 994.1886
• Formula: C₄₃H₆₇N₁₁O₁₂S₂
• Purity: 99%
• Color/Form: Solid
• 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