Chemical Compound

(2R)-N-[(1S)-1-{[(2S)-1-[(2S)-2-{[(1R)-1-carbamoylethyl]carbamoyl}pyrrolidin-1-yl]-1-oxo-6-[(propan-2-yl)amino]hexan-2-yl]carbamoyl}-3-methylbutyl]-2-[(2S)-2-[(2S)-2-[(2R)-2-[3-(4-fluorophenyl)propanamido]-3-(naphthalen-1-yl)propanamido]-3-hydroxy-N-methylpropanamido]-3-(4-hydroxyphenyl)propanamido]-6-[(pyridin-3-yl)formamido]hexanamide

CAS Registry Number 136989-30-5
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(2R)-N-[(1S)-1-{[(2S)-1-[(2S)-2-{[(1R)-1-carbamoylethyl]carbamoyl}pyrrolidin-1-yl]-1-oxo-6-[(propan-2-yl)amino]hexan-2-yl]carbamoyl}-3-methylbutyl]-2-[(2S)-2-[(2S)-2-[(2R)-2-[3-(4-fluorophenyl)propanamido]-3-(naphthalen-1-yl)propanamido]-3-hydroxy-N-methylpropanamido]-3-(4-hydroxyphenyl)propanamido]-6-[(pyridin-3-yl)formamido]hexanamide 结构式
Primary record

(2R)-N-[(1S)-1-{[(2S)-1-[(2S)-2-{[(1R)-1-carbamoylethyl]carbamoyl}pyrrolidin-1-yl]-1-oxo-6-[(propan-2-yl)amino]hexan-2-yl]carbamoyl}-3-methylbutyl]-2-[(2S)-2-[(2S)-2-[(2R)-2-[3-(4-fluorophenyl)propanamido]-3-(naphthalen-1-yl)propanamido]-3-hydroxy-N-methylpropanamido]-3-(4-hydroxyphenyl)propanamido]-6-[(pyridin-3-yl)formamido]hexanamide

库存
3,454 克
纯度
99.6 %
CAS
136989-30-5

化合物标识与属性

CAS
136989-30-5
PubChem CID
9963803
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](CCCCNC(=O)C2=CN=CC=C2)NC(=O)[C@H](CC3=CC=C(C=C3)O)N(C)C(=O)[C@H](CO)NC(=O)[C@@H](CC4=CC=CC5=CC=CC=C54)NC(=O)CCC6=CC=C(C=C6)F
Canonical SMILES
CC(C)C[C@H](NC(=O)[C@@H](CCCCNC(=O)c1cccnc1)NC(=O)[C@H](Cc1ccc(O)cc1)N(C)C(=O)[C@H](CO)NC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)CCc1ccc(F)cc1)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

  • orb1701360
  • AKOS040747673
  • CID9963803
  • CID 9963803
  • HY-125701
  • J584.999C
  • A-76154
  • A 76154
  • 136989-30-5
  • (2R)-N-[(1S)-1-{[(2S)-1-[(2S)-2-{[(1R)-1-carbamoylethyl]carbamoyl}pyrrolidin-1-yl]-1-oxo-6-[(propan-2-yl)amino]hexan-2-yl]carbamoyl}-3-methylbutyl]-2-[(2S)-2-[(2S)-2-[(2R)-2-[3-(4-fluorophenyl)propanamido]-3-(naphthalen-1-yl)propanamido]-3-hydroxy-N-methylpropanamido]-3-(4-hydroxyphenyl)propanamido]-6-[(pyridin-3-yl)formamido]hexanamide
  • N-[3-(4-Fluorophenyl)propionyl]-3-(1-naphthyl)-D-Ala-L-Ser-N-methyl-L-Tyr-N6-nicotinoyl-D-Lys-L-Leu-N6-isopropyl-L-Lys-L-Pro-D-Ala-NH2