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

Catalog Number

ACM77327458

Product Name

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

Structure

CAS

77327-45-8

Category

Heterocyclic Organic Compound

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

Molecular Weight

1075.3

Molecular Formula

C₄₈H₇₄N₁₂O₁₂S₂

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

MSDS

COA

Spec Sheet