Name: Reltecimod
Rating: 5 (10 reviews)

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HIT ID:HIT212711829
Cas No:1447799-33-8
常用名:Reltecimod
别名:P-2TA, P2TA, NSC-37096, AB-103, AB103
IUPAC:(3S)-3-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2R)-2-aminopropanamido]-3-hydroxypropanoyl]pyrrolidin-2-yl]formamido}-4-(methylsulfanyl)butanamido]-4-methylpentanamido]-3-methylbutanamido]propanamido]-3-(4-hydroxyphenyl)propanamido]-3-{[(1R)-1-carboxyethyl]carbamoyl}propanoic acid
IUPAC:(3S)-3-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2R)-2-aminopropanamido]-3-hydroxypropanoyl]pyrrolidin-2-yl]formamido}-4-(methylsulfanyl)butanamido]-4-methylpentanamido]-3-methylbutanamido]propanamido]-3-(4-hydroxyphenyl)propanamido]-3-{[(1R)-1-carboxyethyl]carbamoyl}propanoic acid
InChI key:VRNHFZYMPDKTBS-WYUJEMNCSA-N

分子式:C46H72N10O15S
分子量:1037.2
氢键供体数 (HBD):13
氢键受体数 (HBA):16
LogP:-5.232201
SMILES:CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@@H](C)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](C)C(O)=O
SMILES:CSCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@@H](C)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](C)C(O)=O

Reltecimod, a CD28 antigen inhibitor, is used potentially for the treatment of necrotizing soft tissue infection.

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