Name: Microcystin-LR
Rating: 5 (10 reviews)

待询

sdf 文件

结构编辑

类似物检索

HIT ID:HIT213840707
Cas No:101043-37-2
常用名:Microcystin-LR
IUPAC:(5R,8S,11R,12S,15S,18S)-17-[(3S,4E,6E,8S,9S)-3-amino-9-methoxy-2,6,8-trimethyl-10-phenyldeca-4,6-dienoyl]-15-(3-carbamimidamidopropyl)-1,5,12-trimethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,21-hexaoxo-1,4,7,10,14,17-hexaazacyclohenicosane-11,18-dicarboxylic acid
IUPAC:(5R,8S,11R,12S,15S,18S)-17-[(3S,4E,6E,8S,9S)-3-amino-9-methoxy-2,6,8-trimethyl-10-phenyldeca-4,6-dienoyl]-15-(3-carbamimidamidopropyl)-1,5,12-trimethyl-2-methylidene-8-(2-methylpropyl)-3,6,9,13,16,21-hexaoxo-1,4,7,10,14,17-hexaazacyclohenicosane-11,18-dicarboxylic acid
InChI key:GBDCUWTUCLXSMF-JEBWSOFTSA-N

分子式:C49H74N10O12
分子量:995.189
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CO[C@@H](Cc1ccccc1)[C@@H](C)\C=C(/C)\C=C\[C@H](N)C(C)C(=O)N1[C@@H](CCC(=O)N(C)C(=C)C(=O)N[C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H]([C@H](C)C(=O)N[C@@H](CCCNC(N)=N)C1=O)C(O)=O)C(O)=O
SMILES:CO[C@@H](Cc1ccccc1)[C@@H](C)\C=C(/C)\C=C\[C@H](N)C(C)C(=O)N1[C@@H](CCC(=O)N(C)C(=C)C(=O)N[C@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H]([C@H](C)C(=O)N[C@@H](CCCNC(N)=N)C1=O)C(O)=O)C(O)=O

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