Chemical Compound

CHEMBL411785

CHEMBL411785 chemical structure
Primary Record

CHEMBL411785

In stock
550 g
Purity
98.1 %

Compound Identifiers & Properties

PubChem CID
91931636
SMILES
C[C@H]([C@@H](C(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC4=CC5=CC=CC=C5C=C4)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC6=CC7=CC=CC=C7C=C6)NC(=O)C)O
Canonical SMILES
CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc2ccccc2c1)NC(C)=O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O

Names & Synonyms

  • CHEMBL411785
  • BDBM50098569
  • J1.539.967H
  • Ac-Nal-Ser-Lys-Nal-Leu-Asp-Ser-Arg-Arg-Ala-Gln-Asp-Phe-Val-Gln-Trp-Leu-Met-Asn-Thr-NH2
  • (3S)-3-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-acetamido-3-(naphthalen-2-yl)propanamido]-3-hydroxypropanamido]hexanamido]-3-(naphthalen-2-yl)propanamido]-4-methylpentanamido]-3-carboxypropanamido]-3-hydroxypropanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]propanamido]-4-carbamoylbutanamido]-3-{[(1S)-1-{[(1S)-1-{[(1S)-3-carbamoyl-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-2-carbamoyl-1-{[(1S,2R)-1-carbamoyl-2-hydroxypropyl]carbamoyl}ethyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}-3-methylbutyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}propyl]carbamoyl}-2-methylpropyl]carbamoyl}-2-phenylethyl]carbamoyl}propanoic acid
  • Ac-3-(2-Naphthyl)-L-Ala-L-Ser-L-Lys-3-(2-naphthyl)-L-Ala-L-Leu-L-Asp-L-Ser-L-Arg-L-Arg-L-Ala-L-Gln-L-Asp-L-Phe-L-Val-L-Gln-L-Trp-L-Leu-L-Met-L-Asn-L-Thr-NH2