Name: PSA1 (141-150)
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HIT ID:HIT218697981
Cas No:160215-60-1
Common Name:PSA1 (141-150)
alias:PSA1 141-150
IUPAC:(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-6-amino-2-{[(2S)-1-[(2S,3R)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-4-methylpentanamido]-3-hydroxybutanoyl]pyrrolidin-2-yl]formamido}hexanamido]hexanamido]-4-methylpentanamido]-4-carbamoylbutanamido]-3-sulfanylpropanamido]-3-methylbutanoic acid
IUPAC:(2S)-2-[(2R)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-6-amino-2-{[(2S)-1-[(2S,3R)-2-[(2S)-2-[(2S)-2-amino-3-phenylpropanamido]-4-methylpentanamido]-3-hydroxybutanoyl]pyrrolidin-2-yl]formamido}hexanamido]hexanamido]-4-methylpentanamido]-4-carbamoylbutanamido]-3-sulfanylpropanamido]-3-methylbutanoic acid
InChIKey:PDQLGFZSASQGKB-JINWBZGSSA-N

Molecular Formula:C55H93N13O13S
Molecular Weight:1176.49
Hydrogen Bond Donor (HBD):
Hydrogen Bond Acceptor (HBA):
LogP:
SMILES:CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](C(C)C)C(O)=O
SMILES:CC(C)C[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)Cc1ccccc1)[C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CS)C(=O)N[C@@H](C(C)C)C(O)=O

This Prostate Specific Antigen 1 peptide was used in the immunotherapy of cancer experiments.

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