Chemical Compound

(2S)-2-[(2R)-3-{4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]phenyl}-2-[(2S)-3-{4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]phenyl}-2-[(2S)-2-[(2R)-2-[(2R)-3-(4-chlorophenyl)-2-[(2R)-2-acetamido-3-(naphthalen-2-yl)propanamido]propanamido]-3-(pyridin-3-yl)propanamido]-3-hydroxy-N-methylpropanamido]propanamido]propanamido]-N-[(2S)-1-[(2S)-2-{[(1R)-1-carbamoylethyl]carbamoyl}pyrrolidin-1-yl]-1-oxo-6-[(propan-2-yl)amino]hexan-2-yl]-4-methylpentanamide

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(2S)-2-[(2R)-3-{4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]phenyl}-2-[(2S)-3-{4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]phenyl}-2-[(2S)-2-[(2R)-2-[(2R)-3-(4-chlorophenyl)-2-[(2R)-2-acetamido-3-(naphthalen-2-yl)propanamido]propanamido]-3-(pyridin-3-yl)propanamido]-3-hydroxy-N-methylpropanamido]propanamido]propanamido]-N-[(2S)-1-[(2S)-2-{[(1R)-1-carbamoylethyl]carbamoyl}pyrrolidin-1-yl]-1-oxo-6-[(propan-2-yl)amino]hexan-2-yl]-4-methylpentanamide 结构式
Primary record

(2S)-2-[(2R)-3-{4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]phenyl}-2-[(2S)-3-{4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]phenyl}-2-[(2S)-2-[(2R)-2-[(2R)-3-(4-chlorophenyl)-2-[(2R)-2-acetamido-3-(naphthalen-2-yl)propanamido]propanamido]-3-(pyridin-3-yl)propanamido]-3-hydroxy-N-methylpropanamido]propanamido]propanamido]-N-[(2S)-1-[(2S)-2-{[(1R)-1-carbamoylethyl]carbamoyl}pyrrolidin-1-yl]-1-oxo-6-[(propan-2-yl)amino]hexan-2-yl]-4-methylpentanamide

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
177411109
SMILES
C[C@H](C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCNC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](CC2=CC=C(C=C2)NC3=NNC(=N3)N)NC(=O)[C@H](CC4=CC=C(C=C4)NC5=NNC(=N5)N)N(C)C(=O)[C@H](CO)NC(=O)[C@@H](CC6=CN=CC=C6)NC(=O)[C@@H](CC7=CC=C(C=C7)Cl)NC(=O)[C@@H](CC8=CC9=CC=CC=C9C=C8)NC(=O)C
Canonical SMILES
CC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@H](Cc1ccc(Cl)cc1)C(=O)N[C@H](Cc1cccnc1)C(=O)N[C@@H](CO)C(=O)N(C)[C@@H](Cc1ccc(Nc2n[nH]c(N)n2)cc1)C(=O)N[C@H](Cc1ccc(Nc2n[nH]c(N)n2)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O

名称与同义词

  • Azaline C
  • J687.199B
  • (2S)-2-[(2R)-3-{4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]phenyl}-2-[(2S)-3-{4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]phenyl}-2-[(2S)-2-[(2R)-2-[(2R)-3-(4-chlorophenyl)-2-[(2R)-2-acetamido-3-(naphthalen-2-yl)propanamido]propanamido]-3-(pyridin-3-yl)propanamido]-3-hydroxy-N-methylpropanamido]propanamido]propanamido]-N-[(2S)-1-[(2S)-2-{[(1R)-1-carbamoylethyl]carbamoyl}pyrrolidin-1-yl]-1-oxo-6-[(propan-2-yl)amino]hexan-2-yl]-4-methylpentanamide
  • N-Acetyl-3-(2-naphthyl)-D-Ala-4-chloro-D-Phe-3-(3-pyridyl)-D-Ala-L-Ser-N-methyl-4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-L-Phe-4-[(5-amino-1H-1,2,4-triazol-3-yl)amino]-D-Phe-L-Leu-N6-(1-methylethyl)-L-Lys-L-Pro-D-Ala-NH2