Chemical Compound

2-[(4R,10S,16S,19S,22S,28S,31S,34S,37S,40S,46R,49S)-4-[[(2S)-4-Amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamoyl]-19-(3-amino-3-oxopropyl)-49-benzyl-28,37-bis[(2S)-butan-2-yl]-31,40-bis(3-carbamimidamidopropyl)-16-(hydroxymethyl)-22,46-dimethyl-10-(2-methylpropyl)-6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51-hexadecaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50-hexadecazacyclotripentacont-34-yl]acetic acid

CAS Registry Number 110326-94-8
2-[(4R,10S,16S,19S,22S,28S,31S,34S,37S,40S,46R,49S)-4-[[(2S)-4-Amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamoyl]-19-(3-amino-3-oxopropyl)-49-benzyl-28,37-bis[(2S)-butan-2-yl]-31,40-bis(3-carbamimidamidopropyl)-16-(hydroxymethyl)-22,46-dimethyl-10-(2-methylpropyl)-6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51-hexadecaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50-hexadecazacyclotripentacont-34-yl]acetic acid 结构式
Primary record

2-[(4R,10S,16S,19S,22S,28S,31S,34S,37S,40S,46R,49S)-4-[[(2S)-4-Amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamoyl]-19-(3-amino-3-oxopropyl)-49-benzyl-28,37-bis[(2S)-butan-2-yl]-31,40-bis(3-carbamimidamidopropyl)-16-(hydroxymethyl)-22,46-dimethyl-10-(2-methylpropyl)-6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51-hexadecaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50-hexadecazacyclotripentacont-34-yl]acetic acid

库存
8,011 克
纯度
98.1 %
CAS
110326-94-8

化合物标识与属性

CAS
110326-94-8
PubChem CID
71308368
SMILES
CC[C@H](C)[C@H]1C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CSSCCC(=O)N[C@H](C(=O)N[C@@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CCCNC(=N)N)CC(=O)O)[C@@H](C)CC)CCCNC(=N)N)C)CC2=CC=CC=C2)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC4=CC=C(C=C4)O)C(=O)N)CC(C)C)CO)CCC(=O)N)C
Canonical SMILES
CC[C@H](C)[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCSSC[C@@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)CNC1=O

名称与同义词

  • DTXSID40745468
  • KOTNGLBJBRUJNY-SFMKBCJBSA-N
  • PL-058
  • 110326-94-8
  • [deamino-Cys3, D-Ala5]-Atriopeptin I fragment 3-24 amide rat
  • 2-[(4R,10S,16S,19S,22S,28S,31S,34S,37S,40S,46R,49S)-4-[[(2S)-4-Amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamoyl]-19-(3-amino-3-oxopropyl)-49-benzyl-28,37-bis[(2S)-butan-2-yl]-31,40-bis(3-carbamimidamidopropyl)-16-(hydroxymethyl)-22,46-dimethyl-10-(2-methylpropyl)-6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51-hexadecaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50-hexadecazacyclotripentacont-34-yl]acetic acid
  • 3-MERCAPTOPROPIONYL-PHE-D-ALA-GLY-ARG-ILE-ASP-ARG-ILE-GLY-ALA-GLN-SER-GLY-LEU-GLY-CYS-ASN-SER-PHE-AR
  • 3-Mercaptopropionyl-phe-D-ala-gly-arg-ile-asp-arg-ile-gly-ala-gln-ser-gly-leu-gly-cys-asn-ser-phe-arg-tyr-nh2
  • 3-Mercaptopropionyl-Phe-D-Ala-Gly-Arg-Ile-Asp-Arg-Ile-Gly-Ala-Gln-Ser-Gly-Leu-Gly-Cys-Asn-Ser-Phe-Arg-Tyr-NH2 [Disulfide bridge: 3 C19]
  • 4-24-Atrial natriuretic peptide-24 (rat reduced), 4-[N-(3-mercapto-1-oxopropyl)-L-phenylalanine]-5-D-alanine-24-L-tyrosinamide-, cyclic (4a19)-disulfide
  • N~2~-[(4R,10S,16S,19S,22S,28S,31S,34S,37S,40S,46R,49S)-19-(3-Amino-3-oxopropyl)-49-benzyl-28,37-di[(2S)-butan-2-yl]-31,40-bis[3-(carbamimidoylamino)propyl]-34-(carboxymethyl)-16-(hydroxymethyl)-22,46-dimethyl-10-(2-methylpropyl)-6,9,12,15,18,21,24,27,30,33,36,39,42,45,48,51-hexadecaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50-hexadecaazacyclotripentacontane-4-carbonyl]-L-asparaginyl-L-seryl-L-phenylalanyl-L-arginyl-L-tyrosinamide