Glumitocin
(2S)-2-[[(2S)-1-[(2R)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutanoyl]amino]-3-sulfanylpropanoyl]pyrrolidine-2-carbonyl]amino]-N-(2-amino-2-oxoethyl)pentanediamide
Also Known As: Glumitocin|4-Ser-8-glu-oxytocin|Oxytocin, ser(4)-glu(8)-|4-Serine-8-glutamine-oxytocin|Oxytocin, seryl(4)-glutamine(8)-|Oxytocin, 4-L-serine-8-L-glutamine-|(2S)-2-[[(2S)-1-[(2R)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutanoyl]amino]-3-sulfanylpropanoyl]pyrrolidine-2-carbonyl]amino]-N-(2-amino-2-oxoethyl)pentanediamide|L-Cysteinyl-L-tyrosyl-L-isoleucyl-L-seryl-L-asparaginyl-L-cysteinyl-L-prolyl-L-glutaminylglycinamide
| Molecular Formula | C40H62N12O13S2 |
|---|---|
| Molecular Weight | 982.4001 g/mol |
| LogP | -6.1978 |
| Topological Polar Surface Area | 419.76 Ų |
| Hydrogen Bond Donors | 15 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 28 |
| Exact Mass | 982.4001 |
| Monoisotopic Mass | 982.4001 |
| Heavy Atoms | 67 |
| Complexity | 1963.6467 |
Chemical Identifiers
| CAS Number | 10052-67-2 |
|---|---|
| SMILES | CC[C@H](C)[C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CS)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(=O)N)C(=O)NCC(=O)N)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CS)N |
Product Overview
Glumitocin (CAS 10052-67-2), with molecular formula C40H62N12O13S2 and molecular weight 982.4001 g/mol. IUPAC: (2S)-2-[[(2S)-1-[(2R)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-4-oxobutanoyl]amino]-3-sulfanylpropanoyl]pyrrolidine-2-carbonyl]amino]-N-(2-amino-2-oxoethyl)pentanediamide.