Chemical Compound

(4S)-4-{[(2S)-1-[(2S)-2-{[(1S)-4-carbamimidamido-1-{[(1S)-4-carbamimidamido-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S,2S)-1-{[(2S)-1-[(2S)-2-{[(1S)-1-{[(1S)-1-{[(1S)-3-carbamoyl-1-{[(1S)-1-{[(1S)-2-methyl-1-({2-[(5-sulfonaphthalen-1-yl)amino]ethyl}carbamoyl)propyl]carbamoyl}ethyl]carbamoyl}propyl]carbamoyl}ethyl]carbamoyl}-3-methylbutyl]carbamoyl}pyrrolidin-1-yl]-3-hydroxy-1-oxopropan-2-yl]carbamoyl}-2-methylbutyl]carbamoyl}-3-methylbutyl]carbamoyl}-2-hydroxyethyl]carbamoyl}-3-methylbutyl]carbamoyl}-2-carboxyethyl]carbamoyl}butyl]carbamoyl}butyl]carbamoyl}pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]carbamoyl}-4-[(2S)-2-[(2S)-5-carbamimidamido-2-(4-{2-[4-(dimethylamino)phenyl]diazen-1-yl}benzenesulfonamido)pentanamido]-4-carboxybutanamido]butanoic acid

(4S)-4-{[(2S)-1-[(2S)-2-{[(1S)-4-carbamimidamido-1-{[(1S)-4-carbamimidamido-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S,2S)-1-{[(2S)-1-[(2S)-2-{[(1S)-1-{[(1S)-1-{[(1S)-3-carbamoyl-1-{[(1S)-1-{[(1S)-2-methyl-1-({2-[(5-sulfonaphthalen-1-yl)amino]ethyl}carbamoyl)propyl]carbamoyl}ethyl]carbamoyl}propyl]carbamoyl}ethyl]carbamoyl}-3-methylbutyl]carbamoyl}pyrrolidin-1-yl]-3-hydroxy-1-oxopropan-2-yl]carbamoyl}-2-methylbutyl]carbamoyl}-3-methylbutyl]carbamoyl}-2-hydroxyethyl]carbamoyl}-3-methylbutyl]carbamoyl}-2-carboxyethyl]carbamoyl}butyl]carbamoyl}butyl]carbamoyl}pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]carbamoyl}-4-[(2S)-2-[(2S)-5-carbamimidamido-2-(4-{2-[4-(dimethylamino)phenyl]diazen-1-yl}benzenesulfonamido)pentanamido]-4-carboxybutanamido]butanoic acid 结构式
Primary record

(4S)-4-{[(2S)-1-[(2S)-2-{[(1S)-4-carbamimidamido-1-{[(1S)-4-carbamimidamido-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S,2S)-1-{[(2S)-1-[(2S)-2-{[(1S)-1-{[(1S)-1-{[(1S)-3-carbamoyl-1-{[(1S)-1-{[(1S)-2-methyl-1-({2-[(5-sulfonaphthalen-1-yl)amino]ethyl}carbamoyl)propyl]carbamoyl}ethyl]carbamoyl}propyl]carbamoyl}ethyl]carbamoyl}-3-methylbutyl]carbamoyl}pyrrolidin-1-yl]-3-hydroxy-1-oxopropan-2-yl]carbamoyl}-2-methylbutyl]carbamoyl}-3-methylbutyl]carbamoyl}-2-hydroxyethyl]carbamoyl}-3-methylbutyl]carbamoyl}-2-carboxyethyl]carbamoyl}butyl]carbamoyl}butyl]carbamoyl}pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]carbamoyl}-4-[(2S)-2-[(2S)-5-carbamimidamido-2-(4-{2-[4-(dimethylamino)phenyl]diazen-1-yl}benzenesulfonamido)pentanamido]-4-carboxybutanamido]butanoic acid

库存
550 克
纯度
98.1 %

化合物标识与属性

PubChem CID
177432977
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)NCCNC2=CC=CC3=C2C=CC=C3S(=O)(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CC5=CC=CC=C5)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NS(=O)(=O)C6=CC=C(C=C6)N=NC7=CC=C(C=C7)N(C)C
Canonical SMILES
CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NS(=O)(=O)c1ccc(N=Nc2ccc(N(C)C)cc2)cc1)C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)NCCNc1cccc2c(S(=O)(=O)O)cccc12)C(C)C

名称与同义词

  • J3.511.417C
  • (4S)-4-{[(2S)-1-[(2S)-2-{[(1S)-4-carbamimidamido-1-{[(1S)-4-carbamimidamido-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S,2S)-1-{[(2S)-1-[(2S)-2-{[(1S)-1-{[(1S)-1-{[(1S)-3-carbamoyl-1-{[(1S)-1-{[(1S)-2-methyl-1-({2-[(5-sulfonaphthalen-1-yl)amino]ethyl}carbamoyl)propyl]carbamoyl}ethyl]carbamoyl}propyl]carbamoyl}ethyl]carbamoyl}-3-methylbutyl]carbamoyl}pyrrolidin-1-yl]-3-hydroxy-1-oxopropan-2-yl]carbamoyl}-2-methylbutyl]carbamoyl}-3-methylbutyl]carbamoyl}-2-hydroxyethyl]carbamoyl}-3-methylbutyl]carbamoyl}-2-carboxyethyl]carbamoyl}butyl]carbamoyl}butyl]carbamoyl}pyrrolidin-1-yl]-1-oxo-3-phenylpropan-2-yl]carbamoyl}-4-[(2S)-2-[(2S)-5-carbamimidamido-2-(4-{2-[4-(dimethylamino)phenyl]diazen-1-yl}benzenesulfonamido)pentanamido]-4-carboxybutanamido]butanoic acid
  • Da-L-Arg-L-Glu-L-Glu-L-Phe-L-Pro-L-Arg-L-Arg-L-Asp-L-Leu-L-Ser-L-Leu-L-Ile-L-Ser-L-Pro-L-Leu-L-Ala-L-Gln-L-Ala-L-Val-Edans
  • Nalpha-[[4-[[4-(Dimethylamino)phenyl]azo]phenyl]sulfonyl]-L-Arg-L-Glu-L-Glu-L-Phe-L-Pro-L-Arg-L-Arg-L-Asp-L-Leu-L-Ser-L-Leu-L-Ile-L-Ser-L-Pro-L-Leu-L-Ala-L-Gln-L-Ala-L-Val-[2-[[1-(hydroxysulfonyl)naphthalene-5-yl]amino]ethyl]NH2