Chemical Compound

(2S,3R)-N-[(2S)-4-amino-1-oxo-1-[(2S,5S,8R,11S,14S,17S,20S)-2,5,14,17-tetrakis(2-aminoethyl)-8-benzyl-20-[(1R)-1-hydroxyethyl]-11-(2-methylpropyl)-3,6,9,12,15,18,21-heptaoxo-1,4,7,10,13,16,19-heptaazacyclohenicosan-1-yl]butan-2-yl]-3-hydroxy-2-{[(1r,4r)-4-aminocyclohexyl]formamido}butanamide

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(2S,3R)-N-[(2S)-4-amino-1-oxo-1-[(2S,5S,8R,11S,14S,17S,20S)-2,5,14,17-tetrakis(2-aminoethyl)-8-benzyl-20-[(1R)-1-hydroxyethyl]-11-(2-methylpropyl)-3,6,9,12,15,18,21-heptaoxo-1,4,7,10,13,16,19-heptaazacyclohenicosan-1-yl]butan-2-yl]-3-hydroxy-2-{[(1r,4r)-4-aminocyclohexyl]formamido}butanamide 结构式
Primary record

(2S,3R)-N-[(2S)-4-amino-1-oxo-1-[(2S,5S,8R,11S,14S,17S,20S)-2,5,14,17-tetrakis(2-aminoethyl)-8-benzyl-20-[(1R)-1-hydroxyethyl]-11-(2-methylpropyl)-3,6,9,12,15,18,21-heptaoxo-1,4,7,10,13,16,19-heptaazacyclohenicosan-1-yl]butan-2-yl]-3-hydroxy-2-{[(1r,4r)-4-aminocyclohexyl]formamido}butanamide

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
102279806
SMILES
C[C@H]([C@H]1C(=O)N([C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCN)CCN)CC(C)C)CC2=CC=CC=C2)CCN)CCN)C(=O)[C@H](CCN)NC(=O)[C@H]([C@@H](C)O)NC(=O)C3CCC(CC3)N)O
Canonical SMILES
CC(C)C[C@@H]1NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)N(C(=O)[C@H](CCN)NC(=O)[C@@H](NC(=O)C2CCC(N)CC2)[C@@H](C)O)C(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCN)NC(=O)[C@H](CCN)NC1=O

名称与同义词

  • J2.689.960E
  • J2.689.961C
  • (2S,3R)-N-[(2S)-4-amino-1-oxo-1-[(2S,5S,8R,11S,14S,17S,20S)-2,5,14,17-tetrakis(2-aminoethyl)-8-benzyl-20-[(1R)-1-hydroxyethyl]-11-(2-methylpropyl)-3,6,9,12,15,18,21-heptaoxo-1,4,7,10,13,16,19-heptaazacyclohenicosan-1-yl]butan-2-yl]-3-hydroxy-2-{[(1r,4r)-4-aminocyclohexyl]formamido}butanamide
  • (2S,3R)-N-[(2S)-4-amino-1-oxo-1-[(2S,5S,8R,11S,14S,17S,20S)-2,5,14,17-tetrakis(2-aminoethyl)-8-benzyl-20-[(1R)-1-hydroxyethyl]-11-(2-methylpropyl)-3,6,9,12,15,18,21-heptaoxo-1,4,7,10,13,16,19-heptaazacyclohenicosan-1-yl]butan-2-yl]-3-hydroxy-2-{[(1s,4s)-4-aminocyclohexyl]formamido}butanamide
  • N2-[N-[[(1beta)-4alpha-Aminocyclohexyl]carbonyl]-L-Thr-L-Dab-]cyclo[L-Dab-L-Dab-D-Phe-L-Leu-L-Dab-L-Dab-L-Thr-]
  • N2-[N-[[(1beta)-4beta-Aminocyclohexyl]carbonyl]-L-Thr-L-Dab-]cyclo[L-Dab-L-Dab-D-Phe-L-Leu-L-Dab-L-Dab-L-Thr-]