Chemical Compound

(2S)-N-[(1R)-1-{[(2S)-1-[(2R)-2-({[(1S)-1-CARBAMOYL-2-PHENYLETHYL]AMINO}METHYL)PYRROLIDIN-1-YL]-3-(1H-IMIDAZOL-4-YL)-1-OXOPROPAN-2-YL]CARBAMOYL}ETHYL]-2-[(2S)-2-[(2S)-2-[(2S)-3-(1H-IMIDAZOL-4-YL)-2-(3-PHENYLPROPANAMIDO)PROPANAMIDO]-3-(1H-INDOL-3-YL)PROPANAMIDO]PROPANAMIDO]-3-METHYLBUTANAMIDE

CAS Registry Number 142061-53-8
(2S)-N-[(1R)-1-{[(2S)-1-[(2R)-2-({[(1S)-1-CARBAMOYL-2-PHENYLETHYL]AMINO}METHYL)PYRROLIDIN-1-YL]-3-(1H-IMIDAZOL-4-YL)-1-OXOPROPAN-2-YL]CARBAMOYL}ETHYL]-2-[(2S)-2-[(2S)-2-[(2S)-3-(1H-IMIDAZOL-4-YL)-2-(3-PHENYLPROPANAMIDO)PROPANAMIDO]-3-(1H-INDOL-3-YL)PROPANAMIDO]PROPANAMIDO]-3-METHYLBUTANAMIDE 结构式
Primary record

(2S)-N-[(1R)-1-{[(2S)-1-[(2R)-2-({[(1S)-1-CARBAMOYL-2-PHENYLETHYL]AMINO}METHYL)PYRROLIDIN-1-YL]-3-(1H-IMIDAZOL-4-YL)-1-OXOPROPAN-2-YL]CARBAMOYL}ETHYL]-2-[(2S)-2-[(2S)-2-[(2S)-3-(1H-IMIDAZOL-4-YL)-2-(3-PHENYLPROPANAMIDO)PROPANAMIDO]-3-(1H-INDOL-3-YL)PROPANAMIDO]PROPANAMIDO]-3-METHYLBUTANAMIDE

库存
3,175 克
纯度
99.6 %
CAS
142061-53-8

化合物标识与属性

CAS
142061-53-8
PubChem CID
9919768
SMILES
C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@H](C)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N2CCC[C@@H]2CN[C@@H](CC3=CC=CC=C3)C(=O)N)NC(=O)[C@H](CC4=CNC5=CC=CC=C54)NC(=O)[C@H](CC6=CN=CN6)NC(=O)CCC7=CC=CC=C7
Canonical SMILES
CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CCc1ccccc1)C(=O)N[C@H](C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@H]1CN[C@@H](Cc1ccccc1)C(N)=O

名称与同义词

  • CHEMBL268386
  • orb1738767
  • SCHEMBL30913588
  • XLYQOKWAPHMGLO-XVRZORJCSA-N
  • DTXSID001365548
  • 142061-53-8
  • BDBM50040325
  • CID9919768
  • BW-2258U-89
  • CID 9919768
  • FD108769
  • J579.211H
  • 061D538
  • (DEAMINO-PHE6,HIS7,D-ALA11,D-PRO13-PSI -P
  • (Deamino-Phe19,D-Ala24,D-Pro26-(R)-Phe27)-GRP (19-27) (human, porcine, canine)
  • (Deamino-Phe19,D-Ala24,D-Pro26-psi(CH2NH)Phe27)-GRP (19-27) (human, porcine, canine)
  • Deamino-Phe-His-Trp-Ala-Val-D-Ala-His-D-Pro-(R)-Phe-NH2
  • PhCH2CH2(CO)His-Trp-Ala-Val-DAla-His-DPro(psi)DPhe-NH2
  • Deamino-Phe-His-Trp-Ala-Val-D-Ala-His-D-Pro-psi(CH2NH)Phe-NH2
  • Deamino-Phe-His-Trp-Ala-Val-D-Ala-His-D-Pro-psi[CH2NH]-Phe-NH2
  • (Deamino-phe19,d-ala24,d-pro26-(R)-phe27)-grp(19-27)(human,porcine,canine)
  • (2S)-N-[(1R)-1-{[(2S)-1-[(2R)-2-({[(1S)-1-CARBAMOYL-2-PHENYLETHYL]AMINO}METHYL)PYRROLIDIN-1-YL]-3-(1H-IMIDAZOL-4-YL)-1-OXOPROPAN-2-YL]CARBAMOYL}ETHYL]-2-[(2S)-2-[(2S)-2-[(2S)-3-(1H-IMIDAZOL-4-YL)-2-(3-PHENYLPROPANAMIDO)PROPANAMIDO]-3-(1H-INDOL-3-YL)PROPANAMIDO]PROPANAMIDO]-3-METHYLBUTANAMIDE
  • (Deamino-Phe19,D-Ala24,D-Pro26-psi(CH2NH)Phe27)-GRP (19-27) (human, porcine, canine) trifluoroacetate salt
  • L-Phenylalaninamide, N-(1-oxo-3-phenylpropyl)-L-histidyl-L-tryptophyl-L-alanyl-L-valyl-D-alanyl-L-histidyl-D-prolyl-I(CH2-NH)-
  • Nalpha-(1-Oxo-3-phenylpropyl)-L-His-L-Trp-L-Ala-L-Val-D-Ala-[(S)-2-[(2R)-2-[[[(S)-2-amino-2-oxo-1-benzylethyl]amino]methyl]-1-pyrrolidinyl]-1-[(1H-imidazol-4-yl)methyl]-2-oxoethyl]NH2
  • Nalpha-(3-Phenylpropionyl)-L-His-L-Trp-L-Ala-L-Val-D-Ala-L-His-D-Propsi(CH2NH)-L-Phe-NH2