Chemical Compound

(4S)-4-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-AMINO-3-CARBOXYPROPANAMIDO]-4-(METHYLSULFANYL)BUTANAMIDO]-3-HYDROXYPROPANAMIDO]-3-HYDROXYPROPANAMIDO]-3-CARBOXYPROPANAMIDO]-4-METHYLPENTANAMIDO]-4-{[(1S)-4-CARBAMIMIDAMIDO-1-{[(1S)-1-{[(1S)-1-{[(2S)-5-CARBAMIMIDAMIDO-1-[(2S)-2-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(2S)-1-[(2S)-2-{[(1S)-3-CARBAMOYL-1-{[(1S)-2-CARBAMOYL-1-{[(1S)-1-{[(1S)-2-CARBAMOYL-1-CARBOXYETHYL]CARBAMOYL}ETHYL]CARBAMOYL}ETHYL]CARBAMOYL}PROPYL]CARBAMOYL}PYRROLIDIN-1-YL]-4-(METHYLSULFANYL)-1-OXOBUTAN-2-YL]CARBAMOYL}-2-HYDROXYETHYL]CARBAMOYL}-2-METHYLPROPYL]CARBAMOYL}-2-(1H-IMIDAZOL-4-YL)ETHYL]CARBAMOYL}PYRROLIDIN-1-YL]-1-OXOPENTAN-2-YL]CARBAMOYL}-2-(1H-IMIDAZOL-4-YL)ETHYL]CARBAMOYL}-2-CARBOXYETHYL]CARBAMOYL}BUTYL]CARBAMOYL}BUTANOIC ACID

CAS Registry Number 85916-47-8
(4S)-4-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-AMINO-3-CARBOXYPROPANAMIDO]-4-(METHYLSULFANYL)BUTANAMIDO]-3-HYDROXYPROPANAMIDO]-3-HYDROXYPROPANAMIDO]-3-CARBOXYPROPANAMIDO]-4-METHYLPENTANAMIDO]-4-{[(1S)-4-CARBAMIMIDAMIDO-1-{[(1S)-1-{[(1S)-1-{[(2S)-5-CARBAMIMIDAMIDO-1-[(2S)-2-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(2S)-1-[(2S)-2-{[(1S)-3-CARBAMOYL-1-{[(1S)-2-CARBAMOYL-1-{[(1S)-1-{[(1S)-2-CARBAMOYL-1-CARBOXYETHYL]CARBAMOYL}ETHYL]CARBAMOYL}ETHYL]CARBAMOYL}PROPYL]CARBAMOYL}PYRROLIDIN-1-YL]-4-(METHYLSULFANYL)-1-OXOBUTAN-2-YL]CARBAMOYL}-2-HYDROXYETHYL]CARBAMOYL}-2-METHYLPROPYL]CARBAMOYL}-2-(1H-IMIDAZOL-4-YL)ETHYL]CARBAMOYL}PYRROLIDIN-1-YL]-1-OXOPENTAN-2-YL]CARBAMOYL}-2-(1H-IMIDAZOL-4-YL)ETHYL]CARBAMOYL}-2-CARBOXYETHYL]CARBAMOYL}BUTYL]CARBAMOYL}BUTANOIC ACID 结构式
Primary record

(4S)-4-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-AMINO-3-CARBOXYPROPANAMIDO]-4-(METHYLSULFANYL)BUTANAMIDO]-3-HYDROXYPROPANAMIDO]-3-HYDROXYPROPANAMIDO]-3-CARBOXYPROPANAMIDO]-4-METHYLPENTANAMIDO]-4-{[(1S)-4-CARBAMIMIDAMIDO-1-{[(1S)-1-{[(1S)-1-{[(2S)-5-CARBAMIMIDAMIDO-1-[(2S)-2-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(2S)-1-[(2S)-2-{[(1S)-3-CARBAMOYL-1-{[(1S)-2-CARBAMOYL-1-{[(1S)-1-{[(1S)-2-CARBAMOYL-1-CARBOXYETHYL]CARBAMOYL}ETHYL]CARBAMOYL}ETHYL]CARBAMOYL}PROPYL]CARBAMOYL}PYRROLIDIN-1-YL]-4-(METHYLSULFANYL)-1-OXOBUTAN-2-YL]CARBAMOYL}-2-HYDROXYETHYL]CARBAMOYL}-2-METHYLPROPYL]CARBAMOYL}-2-(1H-IMIDAZOL-4-YL)ETHYL]CARBAMOYL}PYRROLIDIN-1-YL]-1-OXOPENTAN-2-YL]CARBAMOYL}-2-(1H-IMIDAZOL-4-YL)ETHYL]CARBAMOYL}-2-CARBOXYETHYL]CARBAMOYL}BUTYL]CARBAMOYL}BUTANOIC ACID

库存
5,884 克
纯度
98.7 %
CAS
85916-47-8

化合物标识与属性

CAS
85916-47-8
PubChem CID
16172927
SMILES
C[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCSC)NC(=O)[C@H](CO)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC2=CNC=N2)NC(=O)[C@@H]3CCCN3C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC4=CNC=N4)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(=O)O)N
Canonical SMILES
CSCC[C@H](NC(=O)[C@@H](N)CC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCSC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(N)=O)C(=O)O)C(C)C

名称与同义词

  • Katacalcin
  • Katacalcin(human)
  • Pdn-21
  • 85916-47-8free base
  • J2.794.994K
  • Calcitonin C-Terminal Flanking Peptide (human)
  • Calcitonin C-Terminal Flanking Peptide (human) XTFA
  • 85916-47-8
  • Calcitonin C-Terminal Flanking Peptide (human) trifluoroacetate salt
  • H-Asp-Met-Ser-Ser-Asp-Leu-Glu-Arg-Asp-His-Arg-Pro-His-Val-Ser-Met-Pro-Gln-Asn-Ala-Asn-OH
  • (4S)-4-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-AMINO-3-CARBOXYPROPANAMIDO]-4-(METHYLSULFANYL)BUTANAMIDO]-3-HYDROXYPROPANAMIDO]-3-HYDROXYPROPANAMIDO]-3-CARBOXYPROPANAMIDO]-4-METHYLPENTANAMIDO]-4-{[(1S)-4-CARBAMIMIDAMIDO-1-{[(1S)-1-{[(1S)-1-{[(2S)-5-CARBAMIMIDAMIDO-1-[(2S)-2-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(2S)-1-[(2S)-2-{[(1S)-3-CARBAMOYL-1-{[(1S)-2-CARBAMOYL-1-{[(1S)-1-{[(1S)-2-CARBAMOYL-1-CARBOXYETHYL]CARBAMOYL}ETHYL]CARBAMOYL}ETHYL]CARBAMOYL}PROPYL]CARBAMOYL}PYRROLIDIN-1-YL]-4-(METHYLSULFANYL)-1-OXOBUTAN-2-YL]CARBAMOYL}-2-HYDROXYETHYL]CARBAMOYL}-2-METHYLPROPYL]CARBAMOYL}-2-(1H-IMIDAZOL-4-YL)ETHYL]CARBAMOYL}PYRROLIDIN-1-YL]-1-OXOPENTAN-2-YL]CARBAMOYL}-2-(1H-IMIDAZOL-4-YL)ETHYL]CARBAMOYL}-2-CARBOXYETHYL]CARBAMOYL}BUTYL]CARBAMOYL}BUTANOIC ACID