Chemical Compound

2-[(3S,4R,7R,10R,13S,16S,19S,22R,28aS)-4-[(2S,3S,4R)-2-[(2R,3R,4S)-4-[(2R)-5-amino-2-[(2R,3R,4R)-3-hydroxy-2,4,6-trimethylheptanamido]pentanamido]-6-carbamoyl-2,3-dihydroxyhexanamido]-4-carbamoyl-3,4-dimethylbutanamido]-10-(3-aminopropyl)-16-(2-carbamoylethyl)-7-(hydroxymethyl)-19-[(1R)-1-methoxyethyl]-15-methyl-3-[(2R)-3-methylbutan-2-yl]-13-(2-methylpropyl)-1,5,8,11,14,17,20,23-octaoxo-hexacosahydro-1H-pyrido[2,1-c]1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosan-22-yl]acetic acid

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2-[(3S,4R,7R,10R,13S,16S,19S,22R,28aS)-4-[(2S,3S,4R)-2-[(2R,3R,4S)-4-[(2R)-5-amino-2-[(2R,3R,4R)-3-hydroxy-2,4,6-trimethylheptanamido]pentanamido]-6-carbamoyl-2,3-dihydroxyhexanamido]-4-carbamoyl-3,4-dimethylbutanamido]-10-(3-aminopropyl)-16-(2-carbamoylethyl)-7-(hydroxymethyl)-19-[(1R)-1-methoxyethyl]-15-methyl-3-[(2R)-3-methylbutan-2-yl]-13-(2-methylpropyl)-1,5,8,11,14,17,20,23-octaoxo-hexacosahydro-1H-pyrido[2,1-c]1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosan-22-yl]acetic acid 结构式
Primary record

2-[(3S,4R,7R,10R,13S,16S,19S,22R,28aS)-4-[(2S,3S,4R)-2-[(2R,3R,4S)-4-[(2R)-5-amino-2-[(2R,3R,4R)-3-hydroxy-2,4,6-trimethylheptanamido]pentanamido]-6-carbamoyl-2,3-dihydroxyhexanamido]-4-carbamoyl-3,4-dimethylbutanamido]-10-(3-aminopropyl)-16-(2-carbamoylethyl)-7-(hydroxymethyl)-19-[(1R)-1-methoxyethyl]-15-methyl-3-[(2R)-3-methylbutan-2-yl]-13-(2-methylpropyl)-1,5,8,11,14,17,20,23-octaoxo-hexacosahydro-1H-pyrido[2,1-c]1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosan-22-yl]acetic acid

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
177595723
SMILES
C[C@H](CC(C)C)[C@H]([C@@H](C)C(=O)N[C@H](CCCN)C(=O)N[C@@H](CCC(=O)N)[C@H]([C@H](C(=O)N[C@@H]([C@@H](C)[C@@H](C)C(=O)N)C(=O)N[C@@H]1[C@@H](OC(=O)[C@@H]2CCCCN2C(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N(C(=O)[C@@H](NC(=O)[C@H](NC(=O)C(NC1=O)CO)CCCN)CC(C)C)C)CCC(=O)N)[C@@H](C)OC)CC(=O)O)[C@H](C)C(C)C)O)O)O
Canonical SMILES
CO[C@H](C)[C@@H]1NC(=O)[C@H](CCC(N)=O)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@@H](CCCN)NC(=O)C(CO)NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](O)[C@H](O)[C@H](CCC(N)=O)NC(=O)[C@@H](CCCN)NC(=O)[C@H](C)[C@H](O)[C@H](C)CC(C)C)[C@@H](C)[C@@H](C)C(N)=O)[C@H]([C@H](C)C(C)C)OC(=O)[C@@H]2CCCCN2C(=O)[C@@H](CC(=O)O)NC1=O

名称与同义词

  • Homophymine B1
  • J2.795.575D
  • [(4R)-N-[(2S,3S,4R)-2-[[(2R,3R,4S)-2,3-Dihydroxy-4-[[(2R)-2-[[(2R,3R,4R)-2,4,6-trimethyl-3-hydroxyheptanoyl]amino]-5-aminopentanoyl]amino]-7-amino-7-oxoheptanoyl]amino]-3,4-dimethyl-5-amino-5-oxopentanoyl]-4-methyl-4-isopropylcyclo[D-Thr*-D-Ser-D-Orn-L-Leu-N2-methyl-L-Gln-O-methyl-L-Thr-D-Asp-L-Pip-]]
  • 2-[(3S,4R,7R,10R,13S,16S,19S,22R,28aS)-4-[(2S,3S,4R)-2-[(2R,3R,4S)-4-[(2R)-5-amino-2-[(2R,3R,4R)-3-hydroxy-2,4,6-trimethylheptanamido]pentanamido]-6-carbamoyl-2,3-dihydroxyhexanamido]-4-carbamoyl-3,4-dimethylbutanamido]-10-(3-aminopropyl)-16-(2-carbamoylethyl)-7-(hydroxymethyl)-19-[(1R)-1-methoxyethyl]-15-methyl-3-[(2R)-3-methylbutan-2-yl]-13-(2-methylpropyl)-1,5,8,11,14,17,20,23-octaoxo-hexacosahydro-1H-pyrido[2,1-c]1-oxa-4,7,10,13,16,19,22-heptaazacyclopentacosan-22-yl]acetic acid