Name: [Glu4]-Oxytocin
Rating: 5 (10 reviews)

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结构编辑

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HIT ID:HIT214323846
Cas No:4314-67-4
常用名:[Glu4]-Oxytocin
别名:[Glu4]-Oxytocin
IUPAC:3-[(4R,7S,10S,13S,16S,19R)-19-amino-13-[(2S)-butan-2-yl]-7-(carbamoylmethyl)-4-[(2S)-2-{[(1S)-1-[(carbamoylmethyl)carbamoyl]-3-methylbutyl]carbamoyl}pyrrolidine-1-carbonyl]-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-10-yl]propanoic acid
IUPAC:3-[(4R,7S,10S,13S,16S,19R)-19-amino-13-[(2S)-butan-2-yl]-7-(carbamoylmethyl)-4-[(2S)-2-{[(1S)-1-[(carbamoylmethyl)carbamoyl]-3-methylbutyl]carbamoyl}pyrrolidine-1-carbonyl]-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-10-yl]propanoic acid
InChI key:ANHHFWYHJRAVNA-DSZYJQQASA-N

分子式:C43H65N11O13S2
分子量:1008.18
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](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(O)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)[C@@H](C)CC
SMILES:[H][C@]1(NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(O)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)[C@@H](C)CC

[Glu4]-Oxytocin is a suitable derivative of oxytocin for conducting a thorough investigation, utilizing various methods, into the conformation of "oxytocin-like" molecules in aqueous solution.

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