Name: Syringomycin A1
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT214320301
Cas No:124629-88-5
常用名:Syringomycin A1
IUPAC:(2S)-2-[(3S,6S,9Z,12S,15S,18R,21S,24R,27S)-18,21-bis(2-aminoethyl)-12-benzyl-15-(3-carbamimidamidopropyl)-3-[(1S)-2-chloro-1-hydroxyethyl]-9-ethylidene-27-[(3R)-3-hydroxydecanamido]-24-(hydroxymethyl)-2,5,8,11,14,17,20,23,26-nonaoxo-1-oxa-4,7,10,13,16,19,22,25-octaazacyclooctacosan-6-yl]-2-hydroxyacetic acid
IUPAC:(2S)-2-[(3S,6S,9Z,12S,15S,18R,21S,24R,27S)-18,21-bis(2-aminoethyl)-12-benzyl-15-(3-carbamimidamidopropyl)-3-[(1S)-2-chloro-1-hydroxyethyl]-9-ethylidene-27-[(3R)-3-hydroxydecanamido]-24-(hydroxymethyl)-2,5,8,11,14,17,20,23,26-nonaoxo-1-oxa-4,7,10,13,16,19,22,25-octaazacyclooctacosan-6-yl]-2-hydroxyacetic acid
InChI key:VFXHWENMNWQOTJ-GUSGQZJWSA-N

分子式:C51H81ClN14O17
分子量:1197.74
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]1(NC(=O)\C(NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@@H](CO)NC(=O)[C@H](COC(=O)[C@@]([H])(NC1=O)[C@H](O)CCl)NC(=O)C[C@H](O)CCCCCCC)=C\C)[C@H](O)C(O)=O
SMILES:[H][C@]1(NC(=O)\C(NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCN)NC(=O)[C@H](CCN)NC(=O)[C@@H](CO)NC(=O)[C@H](COC(=O)[C@@]([H])(NC1=O)[C@H](O)CCl)NC(=O)C[C@H](O)CCCCCCC)=C\C)[C@H](O)C(O)=O

Syringomycin A1 is a small cyclic lipodepsinonapeptides produced by the plant bacterium Pseudomonas syringae pv. syringae.

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