(d(CH2)51,Tyr(Me)2,Orn8)-Oxytocin
HIT218851614
sdf文件结构编辑类似物检索
HIT ID: HIT218851614
Cas No: 77327-45-8
分子式: C48H74N12O12S2
分子量: 1075.31
常用名: (d(CH2)51,Tyr(Me)2,Orn8)-Oxytocin
常用名: (d(CH2)51,Tyr(Me)2,Orn8)-Oxytocin
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2S)-5-amino-2-{[(2S)-1-[(10R,13S,16S,19S,22S)-19-[(2S)-butan-2-yl]-16-(2-carbamoylethyl)-13-(carbamoylmethyl)-22-[(4-methoxyphenyl)methyl]-12,15,18,21,24-pentaoxo-7,8-dithia-11,14,17,20,23-pentaazaspiro[5.19]pentacosane-10-carbonyl]pyrrolidin-2-yl]formamido}-N-(carbamoylmethyl)pentanamide
IUPAC: (2S)-5-amino-2-{[(2S)-1-[(10R,13S,16S,19S,22S)-19-[(2S)-butan-2-yl]-16-(2-carbamoylethyl)-13-(carbamoylmethyl)-22-[(4-methoxyphenyl)methyl]-12,15,18,21,24-pentaoxo-7,8-dithia-11,14,17,20,23-pentaazaspiro[5.19]pentacosane-10-carbonyl]pyrrolidin-2-yl]formamido}-N-(carbamoylmethyl)pentanamide
SMILES: [H][C@]1(NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)CC2(CCCCC2)SSC[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](CCCN)C(=O)NCC(N)=O)[C@@H](C)CC
SMILES: [H][C@]1(NC(=O)[C@H](Cc2ccc(OC)cc2)NC(=O)CC2(CCCCC2)SSC[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](CCCN)C(=O)NCC(N)=O)[C@@H](C)CC
InChI key: ZWVZXPFUQHTUKV-SZQHDTAUSA-N
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