Name: N-Acetyloxytocin
Rating: 5 (10 reviews)

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HIT ID:HIT214321807
Cas No:10551-48-1
常用名:N-Acetyloxytocin
IUPAC:(2S)-2-{[(2S)-1-[(4R,7S,10S,13S,16S,19R)-13-[(2S)-butan-2-yl]-10-(2-carbamoylethyl)-7-(carbamoylmethyl)-19-acetamido-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carbonyl]pyrrolidin-2-yl]formamido}-N-(carbamoylmethyl)-4-methylpentanamide
IUPAC:(2S)-2-{[(2S)-1-[(4R,7S,10S,13S,16S,19R)-13-[(2S)-butan-2-yl]-10-(2-carbamoylethyl)-7-(carbamoylmethyl)-19-acetamido-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carbonyl]pyrrolidin-2-yl]formamido}-N-(carbamoylmethyl)-4-methylpentanamide
InChI key:RROMYFJBCBPTNU-RANNHORISA-N

分子式:C45H68N12O13S2
分子量:1049.23
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]1(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(C)=O)[C@@H](C)CC
SMILES:[H][C@]1(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(C)=O)[C@@H](C)CC

N-Acetyloxytocin, a chemical compound, has been identified and analyzed in the neurointermediate lobe of the rat pituitary (NIL). Furthermore, its presence has also been detected in various brain regions of the rat[1].

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