Name: Vapreotide acetate
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214315164
Cas No:849479-74-9
常用名:Vapreotide acetate
别名:醋酸伐普肽, RC-160 acetate, BMY-41606 acetate
别名:醋酸伐普肽, RC-160 acetate, BMY-41606 acetate
IUPAC:(2R)-2-amino-N-[(4R,10S,13R,16S,19R)-10-(4-aminobutyl)-4-{[(1S)-1-carbamoyl-2-(1H-indol-3-yl)ethyl]carbamoyl}-16-[(4-hydroxyphenyl)methyl]-13-[(1H-indol-3-yl)methyl]-6,9,12,15,18-pentaoxo-7-(propan-2-yl)-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-19-yl]-3-phenylpropanamide; acetic acid
IUPAC:(2R)-2-amino-N-[(4R,10S,13R,16S,19R)-10-(4-aminobutyl)-4-{[(1S)-1-carbamoyl-2-(1H-indol-3-yl)ethyl]carbamoyl}-16-[(4-hydroxyphenyl)methyl]-13-[(1H-indol-3-yl)methyl]-6,9,12,15,18-pentaoxo-7-(propan-2-yl)-1,2-dithia-5,8,11,14,17-pentaazacycloicosan-19-yl]-3-phenylpropanamide; acetic acid
InChI key:KBIZSMHYSQUHDH-HHEJWEALSA-N

分子式:C59H74N12O11S2
分子量:1191.43
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC(O)=O.[H][C@@]1(Cc2ccc(O)cc2)NC(=O)[C@H](CSSC[C@H](NC(=O)C(NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)C(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O)NC(=O)[C@H](N)Cc1ccccc1 |@:53|
SMILES:CC(O)=O.[H][C@@]1(Cc2ccc(O)cc2)NC(=O)[C@H](CSSC[C@H](NC(=O)C(NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC1=O)C(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(N)=O)NC(=O)[C@H](N)Cc1ccccc1 |@:53|

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