Chemical Compound

(2S)-1-[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-acetamido-3-naphthalen-2-ylpropanoyl]amino]-3-(4-chlorophenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-6-[bis(ethylamino)methylideneamino]hexanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]-N-[(2R)-1-amino-1-oxopropan-2-yl]pyrrolidine-2-carboxamide

CAS Registry Number 89662-30-6
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(2S)-1-[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-acetamido-3-naphthalen-2-ylpropanoyl]amino]-3-(4-chlorophenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-6-[bis(ethylamino)methylideneamino]hexanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]-N-[(2R)-1-amino-1-oxopropan-2-yl]pyrrolidine-2-carboxamide 结构式
Primary record

(2S)-1-[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-acetamido-3-naphthalen-2-ylpropanoyl]amino]-3-(4-chlorophenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-6-[bis(ethylamino)methylideneamino]hexanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]-N-[(2R)-1-amino-1-oxopropan-2-yl]pyrrolidine-2-carboxamide

库存
2,657 克
纯度
98.2 %
CAS
89662-30-6

化合物标识与属性

CAS
89662-30-6
PubChem CID
16129698
SMILES
CCNC(=NCCCC[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(=O)N)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CO)NC(=O)[C@@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@@H](CC5=CC=C(C=C5)Cl)NC(=O)[C@@H](CC6=CC7=CC=CC=C7C=C6)NC(=O)C)NCC
Canonical SMILES
CCNC(=NCCCC[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](Cc1ccc(Cl)cc1)NC(=O)[C@@H](Cc1ccc2ccccc2c1)NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O)NCC

名称与同义词

  • Detirelix
  • Deterelix
  • Detirelixum
  • Detirelex
  • Detirelixum [Latin]
  • Detirelix [USAN]
  • Detirelix [USAN:INN]
  • 05ME7P8ZBJ
  • DETIRELIX [INN]
  • UNII-05ME7P8ZBJ
  • RefChem:132332
  • Detirelix acetate [USAN]
  • SCHEMBL722712
  • DTXSID70237821
  • BRN 6564671
  • orb1741060
  • SCHEMBL32670260
  • C78H105ClN18O13
  • DTXCID20160312
  • 89662-30-6
  • C78-H105-Cl-N18-O13
  • J33.107D
  • LS-15708
  • NS00134782
  • N-Ac-D-Nal(2)1,D-pCl-Phe2,D-Trp3,D-hArg(Et2)6,D-Ala(10)-GnRH
  • Q27236128
  • D-Alaninamide, N-acetyl-3-(2-naphthalenyl)-D-alanyl-4-chloro-D-phenylalanyl-D-tryptophyl-L-seryl-L-tyrosyl-N(sup 6)-(bis(ethylamino)methylene)-D-lysyl-L-leucyl-L-arginyl-L-prolyl-
  • D-Alaninamide, N-acetyl-3-(2-naphthalenyl)-D-alanyl-4-chloro-D-phenylalanyl-D-tryptophyl-L-seryl-L-tyrosyl-N6-(bis(ethylamino)methylene)-D-lysyl-L-leucyl-L-arginyl-L-prolyl-
  • N-Acetyl-3-(2-naphthyl)-D-alanyl-p-chloro-D-phenylalanyl-D-tryptophyl-L-seryl-L-tyrosyl-N(sup 6)-(N,N'-diethylamidino)-D-lysyl-L-leucyl-L-arginyl-L-prolyl-D-alaninamide
  • (2S)-1-[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2R)-2-[[(2R)-2-acetamido-3-naphthalen-2-ylpropanoyl]amino]-3-(4-chlorophenyl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-6-[bis(ethylamino)methylideneamino]hexanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]-N-[(2R)-1-amino-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
  • 1-(N-Ac-2-Npa)-2-(4-Cpa)-3-Trp-6-(Et2-hArg)-10-AlaNH2-GnRH
  • LHRH, (N-Ac-2-Npa)(1)-4-Cpa(2)-Trp(3)-Et2-hArg(6)-AlaNH2(10)-
  • GnRH, N-acetyl-3-(2-naphthyl)-Ala(1)-4-Cl-Phe(2)-Trp(3)-Et2-hArg(6)-AlaNH2(10)-
  • LHRH, N-acetyl-3-(2-naphthyl)-Ala(1)-4-Cl-Phe(2)-Trp(3)-Et2-hArg(6)-AlaNH2(10)-
  • (2R)-6-{[BIS(ETHYLAMINO)METHYLIDENE]AMINO}-N-[(1S)-1-{[(2S)-5-CARBAMIMIDAMIDO-1-[(2S)-2-{[(1R)-1-CARBAMOYLETHYL]CARBAMOYL}PYRROLIDIN-1-YL]-1-OXOPENTAN-2-YL]CARBAMOYL}-3-METHYLBUTYL]-2-[(2S)-2-[(2S)-2-[(2R)-2-[(2R)-3-(4-CHLOROPHENYL)-2-[(2R)-2-ACETAMIDO-3-(NAPHTHALEN-2-YL)PROPANAMIDO]PROPANAMIDO]-3-(1H-INDOL-3-YL)PROPANAMIDO]-3-HYDROXYPROPANAMIDO]-3-(4-HYDROXYPHENYL)PROPANAMIDO]HEXANAMIDE
  • D-ALANINAMIDE, N-ACETYL-3-(2-NAPHTHALENYL)-D-ALANYL-4-CHLORO-D-PHENYLALANYL-D-TRYPTOPHYL-L-SERYL-L-TYROSYL-N6-((ETHYLAMINO)(ETHYLIMINO)METHYL)-D-LYSYL-L-LEUCYL-L-ARGINYL-L-PROLYL-
  • LHRH, N-acetyl-2-naphthylalanyl(1)-4-chlorophenylalanyl(2)-tryptophyl(3)-diethylhomoarginyl(6)-alaninamide(10)-
  • N-Acetyl-3-(2-naphthyl)-D-Ala-4-chloro-D-Phe-D-Trp-L-Ser-L-Tyr-N6-(N,N -diethylamidino)-D-Lys-L-Leu-L-Arg-L-Pro-D-Ala-NH2
  • N-Acetyl-3-(naphthalen-2-yl)-D-alanyl-4-chloro-D-phenylalanyl-D-tryptophyl-L-seryl-L-tyrosyl-N~6~-[bis(ethylamino)methylidene]-D-lysyl-L-leucyl-L-arginyl-L-prolyl-D-alaninamide