Chemical Compound

(3S,6S,9S)-3-[(1S)-2-[(2S)-2-[[(2S,3S)-1-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-hydroxyethyl]-9-[3-(diaminomethylideneamino)propyl]-5,8,11-trioxo-13-oxa-4,7,10-triazabicyclo[12.2.2]octadeca-1(16),14,17-triene-6-carboxamide

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(3S,6S,9S)-3-[(1S)-2-[(2S)-2-[[(2S,3S)-1-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-hydroxyethyl]-9-[3-(diaminomethylideneamino)propyl]-5,8,11-trioxo-13-oxa-4,7,10-triazabicyclo[12.2.2]octadeca-1(16),14,17-triene-6-carboxamide 结构式
Primary record

(3S,6S,9S)-3-[(1S)-2-[(2S)-2-[[(2S,3S)-1-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-hydroxyethyl]-9-[3-(diaminomethylideneamino)propyl]-5,8,11-trioxo-13-oxa-4,7,10-triazabicyclo[12.2.2]octadeca-1(16),14,17-triene-6-carboxamide

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
467071
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N)NC(=O)[C@@H]1CCCN1C[C@@H]([C@@H]2CC3=CC=C(C=C3)OCC(=O)N[C@H](C(=O)N[C@H](C(=O)N2)C(=O)N)CCCN=C(N)N)O
Canonical SMILES
CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C[C@H](O)[C@@H]1Cc2ccc(cc2)OCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C(N)=O)C(=O)N1)C(=O)N[C@H](C(N)=O)C(C)C

名称与同义词

  • Macrocylic deriv.
  • AC1LAEOF
  • AIDS051264
  • CID467071
  • (3S,6S,9S)-3-[(1S)-2-[(2S)-2-[[(1S,2S)-1-[[(1S)-1-carbamoyl-2-methyl-propyl]carbamoyl]-2-methyl-butyl]carbamoyl]pyrrolidin-1-yl]-1-hydroxy-ethyl]-9-(3-guanidinopropyl)-5,8,11-trioxo-13-oxa-4,7,10-triazabicyclo[12.2.2]octadeca-1(16),14,17-triene-6-carboxamide
  • (3S,6S,9S)-3-[(1S)-2-[(2S)-2-[[(2S,3S)-1-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-hydroxyethyl]-9-[3-(diaminomethylideneamino)propyl]-5,8,11-trioxo-13-oxa-4,7,10-triazabicyclo[12.2.2]octadeca-1(16),14,17-triene-6-carboxamide
  • 1-{(2S)-2-[(6S,9S,12S)-9-(Aminocarbonyl)-6-(3-{[amino(imino)methyl]amino}propyl)-4,7,10-trioxo-2-oxa-5,8,11-triazabicyclo[12.2.2]octadeca-1(16),14,17-trien-12-yl]-2-hydroxyethyl}-L-prolyl-L-isoleucyl-L-valinamide