113789-44-9
113789-44-9 structure
- Name: oxytocin, 1'-(1'-methyl-4'-thiopiperidine)acetic acid-
- Chemical Name: (2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-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-hydroxyphenyl)methyl]-3-methyl-12,15,18,21,24-pentaoxo-7,8-dithia-3,11,14,17,20,23-hexa
- CAS Number: 113789-44-9
- Molecular Formula: C48H74N12O12S2
- Molecular Weight: 1075.30000
- Create Date: 2017-12-06 11:21:12
- Modify Date: 2024-02-08 10:41:33
| Name | (2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-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-hydroxyphenyl)methyl]-3-methyl-12,15,18,21,24-pentaoxo-7,8-dithia-3,11,14,17,20,23-hexa |
|---|---|
| Synonyms |
1'-(1'-Methyl-4'-thiopiperidine)acetic acid oxytocin
(2S)-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]-1-[(10S,16S,19S,22R)-19-(2-amino-2-oxoethyl)-16-(3-amino-3-oxopropyl)-13-[(2S)-butan-2-yl]-10-[(4-hydroxyphenyl)methyl]-3-methyl-8,11,14,17,20-pentaoxo-24,25-dithia-3,9,12,15,18,21-hexazaspiro[5.19]pentacosane-22-carbonyl]pyrrolidine-2 Oxytocin,1'-(1'-methyl-4'-thiopiperidine)acetic acid Mepaot Oxytocin,1-(4-mercapto-1-methyl-4-piperidineacetic acid) |
| Density | 1.37g/cm3 |
|---|---|
| Boiling Point | 1521.5ºC at 760 mmHg |
| Molecular Formula | C48H74N12O12S2 |
| Molecular Weight | 1075.30000 |
| Flash Point | 874ºC |
| Exact Mass | 1074.50000 |
| PSA | 454.75000 |
| LogP | 4.30360 |
| Vapour Pressure | 0mmHg at 25°C |
| Index of Refraction | 1.63 |