Chemical Compound

(3S,9S,12S,15R,18S,21S,22R)-3,4,10,22-Tetramethyl-6-(alpha-methoxy-4-hydroxybenzyl)-9-(2-carbamoylethyl)-12-isobutyl-15-(3-guanidinopropyl)-18-[(R)-1-hydroxyethyl]-21-[[(2S,3S,4R)-2-[[(2R,3R,4S)-2,3-dihydroxy-4-[[(2S)-2-[[(2R,3R,4S)-2,4,6-trimethyl-3-hydroxy-1-oxoheptyl]amino]-1-oxopropyl]amino]-7-guanidino-1-oxoheptyl]amino]-3-methyl-4-carbamoyl-1-oxopentyl]amino]-1-oxa-4,7,10,13,16,19-hexaazacyclodocosane-2,5,8,11,14,17,20-heptone

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(3S,9S,12S,15R,18S,21S,22R)-3,4,10,22-Tetramethyl-6-(alpha-methoxy-4-hydroxybenzyl)-9-(2-carbamoylethyl)-12-isobutyl-15-(3-guanidinopropyl)-18-[(R)-1-hydroxyethyl]-21-[[(2S,3S,4R)-2-[[(2R,3R,4S)-2,3-dihydroxy-4-[[(2S)-2-[[(2R,3R,4S)-2,4,6-trimethyl-3-hydroxy-1-oxoheptyl]amino]-1-oxopropyl]amino]-7-guanidino-1-oxoheptyl]amino]-3-methyl-4-carbamoyl-1-oxopentyl]amino]-1-oxa-4,7,10,13,16,19-hexaazacyclodocosane-2,5,8,11,14,17,20-heptone 结构式
Primary record

(3S,9S,12S,15R,18S,21S,22R)-3,4,10,22-Tetramethyl-6-(alpha-methoxy-4-hydroxybenzyl)-9-(2-carbamoylethyl)-12-isobutyl-15-(3-guanidinopropyl)-18-[(R)-1-hydroxyethyl]-21-[[(2S,3S,4R)-2-[[(2R,3R,4S)-2,3-dihydroxy-4-[[(2S)-2-[[(2R,3R,4S)-2,4,6-trimethyl-3-hydroxy-1-oxoheptyl]amino]-1-oxopropyl]amino]-7-guanidino-1-oxoheptyl]amino]-3-methyl-4-carbamoyl-1-oxopentyl]amino]-1-oxa-4,7,10,13,16,19-hexaazacyclodocosane-2,5,8,11,14,17,20-heptone

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
177435653
SMILES
C[C@@H]1C(C(=O)N[C@H](C(=O)N[C@@H](C(=O)NC(C(=O)N([C@H](C(=O)NC(C(=O)N([C@H](C(=O)O1)C)C)C(C2=CC=C(C=C2)O)OC)CCC(=O)N)C)CC(C)C)CCCN=C(N)N)[C@@H](C)O)NC(=O)[C@H]([C@@H](C)[C@@H](C)C(=O)N)NC(=O)[C@@H]([C@@H]([C@H](CCCN=C(N)N)NC(=O)[C@H](C)NC(=O)[C@H](C)[C@@H]([C@@H](C)CC(C)C)O)O)O
Canonical SMILES
COC(c1ccc(O)cc1)C1NC(=O)[C@H](CCC(N)=O)N(C)C(=O)C(CC(C)C)NC(=O)[C@@H](CCCN=C(N)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)C(NC(=O)[C@@H](NC(=O)[C@H](O)[C@H](O)[C@H](CCCN=C(N)N)NC(=O)[C@H](C)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)OC(=O)[C@H](C)N(C)C1=O

名称与同义词

  • Callipeltin A
  • J776.201A
  • (2S,3S,4R)-2-[(2R,3R,4S)-7-carbamimidamido-2,3-dihydroxy-4-[(2S)-2-[(2R,3R,4S)-3-hydroxy-2,4,6-trimethylheptanamido]propanamido]heptanamido]-N-[(3S,9S,12S,15R,18S,21S,22R)-15-(3-carbamimidamidopropyl)-9-(2-carbamoylethyl)-18-[(1R)-1-hydroxyethyl]-6-[(4-hydroxyphenyl)(methoxy)methyl]-3,4,10,22-tetramethyl-12-(2-methylpropyl)-2,5,8,11,14,17,20-heptaoxo-1-oxa-4,7,10,13,16,19-hexaazacyclodocosan-21-yl]-3,4-dimethylpentanediamide
  • (3S,9S,12S,15R,18S,21S,22R)-3,4,10,22-Tetramethyl-6-(alpha-methoxy-4-hydroxybenzyl)-9-(2-carbamoylethyl)-12-isobutyl-15-(3-guanidinopropyl)-18-[(R)-1-hydroxyethyl]-21-[[(2S,3S,4R)-2-[[(2R,3R,4S)-2,3-dihydroxy-4-[[(2S)-2-[[(2R,3R,4S)-2,4,6-trimethyl-3-hydroxy-1-oxoheptyl]amino]-1-oxopropyl]amino]-7-guanidino-1-oxoheptyl]amino]-3-methyl-4-carbamoyl-1-oxopentyl]amino]-1-oxa-4,7,10,13,16,19-hexaazacyclodocosane-2,5,8,11,14,17,20-heptone