Chemical Compound

(2S)-2-{[(2S)-1-[(4R,7S,10S,13S,16S)-13-BENZYL-10-(2-CARBAMOYLETHYL)-7-(CARBAMOYLMETHYL)-16-[(4-METHOXYPHENYL)METHYL]-20,20-DIMETHYL-6,9,12,15,18-PENTAOXO-1,2-DITHIA-5,8,11,14,17-PENTAAZACYCLOICOSANE-4-CARBONYL]PYRROLIDIN-2-YL]FORMAMIDO}-5-CARBAMIMIDAMIDO-N-(CARBAMOYLMETHYL)PENTANAMIDE

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(2S)-2-{[(2S)-1-[(4R,7S,10S,13S,16S)-13-BENZYL-10-(2-CARBAMOYLETHYL)-7-(CARBAMOYLMETHYL)-16-[(4-METHOXYPHENYL)METHYL]-20,20-DIMETHYL-6,9,12,15,18-PENTAOXO-1,2-DITHIA-5,8,11,14,17-PENTAAZACYCLOICOSANE-4-CARBONYL]PYRROLIDIN-2-YL]FORMAMIDO}-5-CARBAMIMIDAMIDO-N-(CARBAMOYLMETHYL)PENTANAMIDE 结构式
Primary record

(2S)-2-{[(2S)-1-[(4R,7S,10S,13S,16S)-13-BENZYL-10-(2-CARBAMOYLETHYL)-7-(CARBAMOYLMETHYL)-16-[(4-METHOXYPHENYL)METHYL]-20,20-DIMETHYL-6,9,12,15,18-PENTAOXO-1,2-DITHIA-5,8,11,14,17-PENTAAZACYCLOICOSANE-4-CARBONYL]PYRROLIDIN-2-YL]FORMAMIDO}-5-CARBAMIMIDAMIDO-N-(CARBAMOYLMETHYL)PENTANAMIDE

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
177439141
SMILES
CC1(CC(=O)NC(C(=O)NC(C(=O)N[C@H](C(=O)N[C@H](C(=O)NC(CSS1)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)N)CC3=CC=CC=C3)CC4=CC=C(C=C4)OC)C
Canonical SMILES
COc1ccc(CC2NC(=O)CC(C)(C)SSCC(C(=O)N3CCC[C@H]3C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)C(Cc3ccccc3)NC2=O)cc1

名称与同义词

  • J459.826A
  • [deamino-Pen1,Tyr(Me)2]arginine vasopressin
  • [Deamino-Pen1,O-methyl-Tyr2,Arg8]vasopressin
  • 2-Deamino Pen(1)-O-methyl-L-Tyr-L-Phe-L-Gln-L-Asn-L-Cys(1)-L-Pro-L-Arg-Gly-NH2
  • (2S)-2-{[(2S)-1-[(4R,7S,10S,13S,16S)-13-BENZYL-10-(2-CARBAMOYLETHYL)-7-(CARBAMOYLMETHYL)-16-[(4-METHOXYPHENYL)METHYL]-20,20-DIMETHYL-6,9,12,15,18-PENTAOXO-1,2-DITHIA-5,8,11,14,17-PENTAAZACYCLOICOSANE-4-CARBONYL]PYRROLIDIN-2-YL]FORMAMIDO}-5-CARBAMIMIDAMIDO-N-(CARBAMOYLMETHYL)PENTANAMIDE
  • N-[3-Mercapto(1)-3-methylbutyryl]-O-methyl-Tyr-Phe-Glu(NH2)-Asp(NH2)-Cys(1)-Pro-Arg-Gly-NH2
  • N-[3-Methyl-3-mercapto(1)butyryl]-O-methyl-L-Tyr-L-Phe-L-Gln-L-Asn-L-Cys(1)-L-Pro-L-Arg-Gly-NH2