Name: (Val3,Pro8)-Oxytocin
Rating: 5 (10 reviews)

有库存

sdf 文件

结构编辑

类似物检索

HIT ID:HIT218851627
Cas No:2134138-89-7
常用名:(Val3,Pro8)-Oxytocin
IUPAC:3-[(4R,7S,10S,16S,19R)-19-amino-7-(carbamoylmethyl)-4-[(2S)-2-[(2S)-2-[(carbamoylmethyl)carbamoyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-13-(propan-2-yl)-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-10-yl]propanamide
IUPAC:3-[(4R,7S,10S,16S,19R)-19-amino-7-(carbamoylmethyl)-4-[(2S)-2-[(2S)-2-[(carbamoylmethyl)carbamoyl]pyrrolidine-1-carbonyl]pyrrolidine-1-carbonyl]-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-13-(propan-2-yl)-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-10-yl]propanamide
InChI key:MKUDLHWRPHCLGX-YQVGNSLPSA-N

分子式:C41H60N12O12S2
分子量:977.12
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC(C)C1NC(=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(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(N)=O
SMILES:CC(C)C1NC(=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(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)NCC(N)=O

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