Chemical Compound

Atosiban

CAS Registry Number 90779-69-4

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Primary Record

Atosiban

In stock: 5,181 g
Purity: 99.5 %
CAS: 90779-69-4

Compound Identifiers & Properties

CAS: 90779-69-4
PubChem CID: 5311010
SMILES: CC[C@H](C)[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSCCC(=O)N[C@@H](C(=O)N1)CC2=CC=C(C=C2)OCC)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCN)C(=O)NCC(=O)N)CC(=O)N)[C@@H](C)O
Canonical SMILES: CCOc1ccc(C[C@H]2NC(=O)CCSSC[C@@H](C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)CC)NC2=O)cc1

Names & Synonyms

Atosiban
Tractocile
Antocin
tractocil
Antocin II
Atosibanum
Antocile
Atosiban acetate
90779-69-4
Atosiban Aceta
Atosiban?
dTVT
deTVT
Rwj 22164
Orf-22164
Atosibanum [INN-Latin]
AC1NSJTQ
3'-Hydroxy Repaglinide
ATOSIBAN [USAN]
ATOSIBAN [INN]
Atosiban [USAN:INN]
ATOSIBAN [MI]
ORF 22164
F314 cpd
CAP-476
RefChem:115452
Atosiban [USAN:INN:BAN]
ATOSIBAN [MART.]
DTXSID8048991
RWJ-22164
ATOSIBAN [WHO-DD]
D0D8XY
(Mixture of Diastereomers)
UNII-081D12SI0Z
CAP-449
CAP-581
CHEMBL382301
081D12SI0Z
SCHEMBL34316
DTXCID4028917
Atosiban Acetate(Tractocile)/
C43H67N11O12S2
d[D-Tyr(Et)2,Thr4]OVT
ChEMBL_332615
GTPL2213
orb1689940
Atosiban, >=98% (HPLC)
RW-22164
EX-A7437A
CAP-440
G02CX01
CHEBI:135899
MFCD00672436
VWXRQYYUEIYXCZ-OBIMUBPZSA-N
(Mpa-Tyr(ethyl)-Thr-Orn)oxytocin
1-Deamino-2D-tyr-(OEt)-4-thr-8-orn-oxytocin
F-314
ORF22164
RWJ22164
Tox21_113474
ABP000563
BDBM50177595
CA-474
d[D-Tyr(Et)2,Thr4,Orn8]vasotocin
MFCD08692014
NCGC00165718-01
AKOS015994643
ZINC169362009
BAT-010038
CCG-270604
CID5311010
DB09059
HS-2003
RW22164;RWJ22164
CID:5311010
NCGC00165718-02
1-deamino-2-Tyr(OEt)-4-Thr-8-Orn-oxytocin
BP-50419
DA-59548
K656
SY301205
C43-H67-N11-O12-S2
SID:134222112
SID:134222308
CAS-90779-69-4
(Mpa(1),D-Tyr(Et)2,Thr(4),Orn(8))oxytocin
B3631
F 314
FT-0652583
FT-0776096
(Mpa(1)-D-Tyr(Et)(2)-Thr(4)-Orn(8))-oxytocin
1-Deamino-2-D-Tyr-(O-ethyl)-4-Thr-8-ornoxytocin
79A694
A14334
C77085
A843637
C047046
C099723
oxytocin, 1-deamino-(O-Et-Tyr)(2)-Thr(4)-Orn(8)-
(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
[mpr-d-tyr(oet)-ile-thr-asn-cys]-pro-orn-gly-nh2
1-(3-Mercaptopropanoic acid)-2-(O-ethyl-D-tyrosine)-4-L-threonine-8-L-ornithineoxytocin
1-(3-Mercaptopropionic acid)-2-(3-(p-ethoxyphenyl)-D-alanine)-4-L-threonine-8-L-ornithineoxytocin
oxytocin, 1-deamino-O-ethyltyrosyl(2)-threonyl(4)-ornithine(8)-
Oxytocin, 1-(3-mercaptopropanoic acid)-2-(O-ethyl-D-tyrosine)-4-L-threonine-8-L-ornithine-
(Deamino-Cys1,D-Tyr(Et)2,Thr4,Orn8)-Oxytocin acetate salt
(S)-N-((S)-5-Amino-1-((2-amino-2-oxoethyl)amino)-1-oxopentan-2-yl)-1-((4R,7S,10S,13S,16R)-7-(2-amino-2-oxoethyl)-13-((S)-sec-butyl)-16-(4-ethoxybenzyl)-10-((R)-1-hydroxyethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carbonyl)pyrrolidine-2-carboxamide
(1-(3-mercaptopropionic acid)-2-O-ethyl-D-Tyr-Thr(4)-Orn(8))OT
(mercaptopropanoic acid-tyrosyl(ethyl)-threonyl-ornithyl)oxytocin
oxytocin,1-(3-mercaptopropanoicacid)-2-(o-ethyl-d-tyrosine)-4-l-threonine-8-l
(2R)-2-[[(2R)-2-[[(2S)-2-[(2-aminoacetyl)amino]propanoyl]amino]propanoyl]amino]propanoic acid
(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-((1R)-1-hydroxyethyl)-6,9,12,15,18-pentaoxo-1,2-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-(1-hydroxyethyl)-6,9,12,15,18-pentaoxo1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl)pyrrolidine-2-carboxamide
(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
(2S)-N-[(1S)-4-amino-1-[(2-amino-2-oxo-ethyl)carbamoyl]butyl]-1-[(4R,7S,10S,13S,16R)-7-(2-amino-2-oxo-ethyl)-16-[(4-ethoxyphenyl)methyl]-10-[(1R)-1-hydroxyethyl]-13-[(1S)-1-methylpropyl]-6,9,12,15,18-pentaoxo-1,2-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-(1-hydroxyethyl)-6,9,12,15,18-pentaoxo1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carboxamide
(S)-N-[(S)-5-Amino-1-[(2-amino-2-oxoethyl)amino]-1-oxo-2-pentyl]-1-[(4R,7S,10S,13S,16R)-7-(2-amino-2-oxoethyl)-13-[(S)-sec-butyl]-16-(4-ethoxybenzyl)-10-[(R)-1-hydroxyethyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carbonyl]pyrrolidine-2-carboxamide
1-(3-Mercaptopropanoic acid)-2-(O-ethyl-D-tyrosine)-4-L-threonine-8-L-ornithineoxytocin, 1-Deamino-2-D-Tyr-(O-ethyl)-4-Thr-8-ornoxytocin, Tractocile
1-(3-mercaptopropionic acid)-2-(3-(p-ethoxyphenyl)-d-alanine)-4-l-thre onine-8-l-ornithineoxytocin
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-pentaazacycloicosane-4-carbonyl}-L-prolyl-L-ornithylglycinamide
874908-14-2
90779-71-8
GLYCINAMIDE, O-ETHYL-N-(3-MERCAPTO-1-OXOPROPYL)-D-TYROSYL-L-ISOLEUCYL-L-THREONYL-L-ASPARAGINYL-L-CYSTEINYL-L-PROLYL-L-ORNITHYL-, CYCLIC (1->5)-DISULFIDE
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