Chemical Compound

(2S)-N-[(1S)-1-{[(1S,2S)-1-{[(1S,2S)-1-{[(2S,3S)-1-[(2S)-2-{[(1S)-1-{[(1S)-1-{[(1R)-1-{[(1S)-1-{[(1S)-5-amino-1-{[(1S)-5-amino-1-{[(1R)-1-[({[(1S)-5-amino-1-{[(1S)-5-amino-1-carbamoylpentyl]carbamoyl}pentyl]carbamoyl}methyl)carbamoyl]-2-sulfanylethyl]carbamoyl}pentyl]carbamoyl}pentyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}-2-(1H-imidazol-4-yl)ethyl]carbamoyl}pyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]carbamoyl}-2-methylbutyl]carbamoyl}-2-methylbutyl]carbamoyl}-4-carbamimidamidobutyl]-2-[(2R)-2-[(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-aminopropanamido]-4-methylpentanamido]-3-sulfanylpropanamido]-3-carbamoylpropanamido]-3-sulfanylpropanamido]butanediamide

CAS Registry Number 58694-52-3
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(2S)-N-[(1S)-1-{[(1S,2S)-1-{[(1S,2S)-1-{[(2S,3S)-1-[(2S)-2-{[(1S)-1-{[(1S)-1-{[(1R)-1-{[(1S)-1-{[(1S)-5-amino-1-{[(1S)-5-amino-1-{[(1R)-1-[({[(1S)-5-amino-1-{[(1S)-5-amino-1-carbamoylpentyl]carbamoyl}pentyl]carbamoyl}methyl)carbamoyl]-2-sulfanylethyl]carbamoyl}pentyl]carbamoyl}pentyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}-2-(1H-imidazol-4-yl)ethyl]carbamoyl}pyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]carbamoyl}-2-methylbutyl]carbamoyl}-2-methylbutyl]carbamoyl}-4-carbamimidamidobutyl]-2-[(2R)-2-[(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-aminopropanamido]-4-methylpentanamido]-3-sulfanylpropanamido]-3-carbamoylpropanamido]-3-sulfanylpropanamido]butanediamide 结构式
Primary record

(2S)-N-[(1S)-1-{[(1S,2S)-1-{[(1S,2S)-1-{[(2S,3S)-1-[(2S)-2-{[(1S)-1-{[(1S)-1-{[(1R)-1-{[(1S)-1-{[(1S)-5-amino-1-{[(1S)-5-amino-1-{[(1R)-1-[({[(1S)-5-amino-1-{[(1S)-5-amino-1-carbamoylpentyl]carbamoyl}pentyl]carbamoyl}methyl)carbamoyl]-2-sulfanylethyl]carbamoyl}pentyl]carbamoyl}pentyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}-2-(1H-imidazol-4-yl)ethyl]carbamoyl}pyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]carbamoyl}-2-methylbutyl]carbamoyl}-2-methylbutyl]carbamoyl}-4-carbamimidamidobutyl]-2-[(2R)-2-[(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-aminopropanamido]-4-methylpentanamido]-3-sulfanylpropanamido]-3-carbamoylpropanamido]-3-sulfanylpropanamido]butanediamide

库存
4,940 克
纯度
99.7 %
CAS
58694-52-3

化合物标识与属性

CAS
58694-52-3
PubChem CID
90473740
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC2=CNC=N2)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CS)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CS)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N
Canonical SMILES
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CS)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CS)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N)C(=O)N[C@H](C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CS)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(N)=O)[C@@H](C)CC)[C@@H](C)CC

名称与同义词

  • Tertiapin
  • UNII-3A7MX9B7E8
  • SCHEMBL29360231
  • MFCD02094633
  • C106H180N34O23S5
  • C106-H180-N34-O23-S5
  • J1.009.311B
  • 58694-52-3
  • (2S)-N-[(1S)-1-{[(1S,2S)-1-{[(1S,2S)-1-{[(2S,3S)-1-[(2S)-2-{[(1S)-1-{[(1S)-1-{[(1R)-1-{[(1S)-1-{[(1S)-5-amino-1-{[(1S)-5-amino-1-{[(1R)-1-[({[(1S)-5-amino-1-{[(1S)-5-amino-1-carbamoylpentyl]carbamoyl}pentyl]carbamoyl}methyl)carbamoyl]-2-sulfanylethyl]carbamoyl}pentyl]carbamoyl}pentyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}-2-sulfanylethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}-2-(1H-imidazol-4-yl)ethyl]carbamoyl}pyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]carbamoyl}-2-methylbutyl]carbamoyl}-2-methylbutyl]carbamoyl}-4-carbamimidamidobutyl]-2-[(2R)-2-[(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-aminopropanamido]-4-methylpentanamido]-3-sulfanylpropanamido]-3-carbamoylpropanamido]-3-sulfanylpropanamido]butanediamide
  • TPN