Name: [Leu3]-Oxytocin
Rating: 5 (10 reviews)

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结构编辑

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HIT ID:HIT214323844
Cas No:4294-11-5
常用名:[Leu3]-Oxytocin
别名:[Leu3]-Oxytocin
IUPAC:(2S)-2-{[(2S)-1-[(4R,7S,10S,13S,16S,19R)-19-amino-10-(2-carbamoylethyl)-7-(carbamoylmethyl)-16-[(4-hydroxyphenyl)methyl]-13-(2-methylpropyl)-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)-19-amino-10-(2-carbamoylethyl)-7-(carbamoylmethyl)-16-[(4-hydroxyphenyl)methyl]-13-(2-methylpropyl)-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:FRAJVCQUOFINCU-ALERXTORSA-N

分子式:C43H66N12O12S2
分子量:1007.19
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O
SMILES:CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O

[Leu3]-Oxytocin, an oxytocin analogue, is a derivative of oxytocin wherein the leucine amino acid (Leu) has been substituted at the 3rd position in the sequence.

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