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Structure

Beta-mercapto-beta,beta-cyclopentamethylene-propionyl-tyr(me)-ile-gln-asn-cys-pro-orn-gly-nh2

CAS
77327-45-8
Catalog Number
ACM77327458
Category
Other Products
Molecular Weight
1075.3
Molecular Formula
C48H74N12O12S2

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Specification

Synonyms
Mpomeovt, Det2Tyr(Me)-ovt, d(CH2)5Tyr(Me)-8-Orn-vasotocin, CID122244, (d(CH2)5,Tyr(Me)2,Orn8)vasotocin, Vasotocin, d(CH2)5-2-O-methytyrosine-8-ornithine-, Oxytocin, 1beta-mpa(beta-(CH2)5)(1)-Me(tyr)(2)-orn(8)-, 1-(beta-Mercapto-beta,beta-cyclopentamethylenepropionic acid)-2-tyr(ome)-8-orn-oxytocin, Oxytocin, 1-(1-mercaptocyclohexaneacetic acid)-2-(O-methyl-L-tyrosine)-8-L-ornithine-, 1-Deamino-2-O-methyl-tyrosyl-8-ornithine-1-(beta-mercapto-(beta,beta-cyclopentamethylene)propionic acid)oxytocin, 77327-45-8, Oxytocin, 1-(beta-mercapto-(beta,beta-cyclopentamethylene)propionic acid)-1-deamino-2-O-methyl-tyrosyl-8-ornithine-, Oxytocin, 1-(beta-mercapto-(beta,beta-cyclopentamethylene)propionic acid)-O-methyltyrosyl(2)-ornithine(8)-, oxytocin,1-(beta-mercapto-(beta, beta-cyclopentamethylene)propionic acid)-Tyr(OMe)(2)-Orn(8)-, Vasotocin, 1-(beta-mercapto-(beta, beta-cyclopentamethylene)propionic acid)-tyr(OM3)(2)-orn(8)-
IUPAC Name
(2S)-N-[(2S)-5-amino-1-[(2-amino-2-oxoethyl)amino]-1-oxopentan-2-yl]-1-[(10R,13S,16S,22S)-13-(2-amino-2-oxoethyl)-16-(3-amino-3-oxopropyl)-19-[(2S)-butan-2-yl]-22-[(4-methoxyphenyl)methyl]-12,15,18,21,24-pentaoxo-7,8-dithia-11,14,17,20,23-pentazaspiro[5.1
Canonical SMILES
CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(CSSC2(CCCCC2)CC(=O)NC(C(=O)N1)CC3=CC=C(C=C3)OC)C(=O)N4CCCC4C(=O)NC(CCCN)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)N
InChI Key
ZWVZXPFUQHTUKV-DCFRFDPNSA-N
Boiling Point
1537.6ºC at 760 mmHg
Flash Point
883.7ºC
Density
1.36 g/cm³
Exact Mass
1074.50000
H-Bond Acceptor
13
H-Bond Donor
11
Safety Description
22-24/25
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