oxytocin, tri-Gly-
Modify Date: 2025-09-24 18:53:39
oxytocin, tri-Gly- structure
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Common Name | oxytocin, tri-Gly- | ||
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| CAS Number | 16639-11-5 | Molecular Weight | 1178.341 | |
| Density | 1.4±0.1 g/cm3 | Boiling Point | 1751.9±65.0 °C at 760 mmHg | |
| Molecular Formula | C49H75N15O15S2 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 1013.3±34.3 °C | |
| Name | (2S)-1-{[(4R,7S,10S,16S,19R)-19-{[({[(Aminoacetyl)amino]acetyl}amino)acetyl]amino}-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-[(2S)-2-butanyl]-16-(4-hydroxybenzyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]carbonyl}-N-{(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxo-2-pentanyl}-2-pyrrolidinecarboxamide |
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| Synonym | More Synonyms |
| Density | 1.4±0.1 g/cm3 |
|---|---|
| Boiling Point | 1751.9±65.0 °C at 760 mmHg |
| Molecular Formula | C49H75N15O15S2 |
| Molecular Weight | 1178.341 |
| Flash Point | 1013.3±34.3 °C |
| Exact Mass | 1177.500854 |
| LogP | -5.26 |
| Vapour Pressure | 0.0±0.3 mmHg at 25°C |
| Index of Refraction | 1.637 |
| InChIKey | GSQPHYUVUWFHDE-XIJIAEDBSA-N |
| SMILES | CCC(C)C1NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(NC(=O)CNC(=O)CNC(=O)CN)CSSCC(C(=O)N2CCCC2C(=O)NC(CC(C)C)C(=O)NCC(N)=O)NC(=O)C(CC(N)=O)NC(=O)C(CCC(N)=O)NC1=O |
| (2S)-1-{[(4R,7S,10S,16S,19R)-19-{[({[(Aminoacetyl)amino]acetyl}amino)acetyl]amino}-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-[(2S)-2-butanyl]-16-(4-hydroxybenzyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-4-yl]carbonyl}-N-{(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxo-2-pentanyl}-2-pyrrolidinecarboxamide |