Name: Antiflammin 3
Rating: 4 (6 reviews)

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HIT ID:HIT218661592
Cas No:118850-73-0
Common Name:Antiflammin 3
IUPAC:(3S)-3-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-4-carbamoylbutanamido]-4-(methylsulfanyl)butanamido]-3-carbamoylpropanamido]hexanamido]-3-methylbutanamido]-4-methylpentanamido]-3-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}propanoic acid
IUPAC:(3S)-3-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-(methylsulfanyl)butanamido]-4-carbamoylbutanamido]-4-(methylsulfanyl)butanamido]-3-carbamoylpropanamido]hexanamido]-3-methylbutanamido]-4-methylpentanamido]-3-{[(1S)-1-carboxy-2-hydroxyethyl]carbamoyl}propanoic acid
InChI key:GYNQDZNXDPVSHD-AKLVUHSOSA-N

Molecular Formula:C43H76N12O15S2
Molecular Weight:1065.27
Hydrogen Bond Donor (HBD):
Hydrogen Bond Acceptor (HBA):
LogP:
SMILES:CSCC[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(O)=O
SMILES:CSCC[C@H](N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(O)=O

Antiflammin 3 is a peptide with anti-inflammatory properties and the sequence MQMNKVLDS [1].

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