Name: MPS-Gαi2
Rating: 5 (10 reviews)

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结构编辑

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HIT ID:HIT217584686
Cas No:
常用名:MPS-Gαi2
IUPAC:(3S)-3-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-aminopropanamido]propanamido]-3-methylbutanamido]propanamido]-4-methylpentanamido]-4-methylpentanoyl]pyrrolidin-2-yl]formamido}propanamido]-3-methylbutanamido]-4-methylpentanamido]-4-methylpentanamido]propanamido]-4-methylpentanamido]-4-methylpentanamido]propanamido]hexanamido]-3-carbamoylpropanamido]-3-carbamoylpropanamido]-4-methylpentanamido]hexanamido]-3-{[(1R)-1-[({[(1S)-1-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}-3-methylbutyl]carbamoyl}methyl)carbamoyl]-2-sulfanylethyl]carbamoyl}propanoic acid
IUPAC:(3S)-3-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-aminopropanamido]propanamido]-3-methylbutanamido]propanamido]-4-methylpentanamido]-4-methylpentanoyl]pyrrolidin-2-yl]formamido}propanamido]-3-methylbutanamido]-4-methylpentanamido]-4-methylpentanamido]propanamido]-4-methylpentanamido]-4-methylpentanamido]propanamido]hexanamido]-3-carbamoylpropanamido]-3-carbamoylpropanamido]-4-methylpentanamido]hexanamido]-3-{[(1R)-1-[({[(1S)-1-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}-3-methylbutyl]carbamoyl}methyl)carbamoyl]-2-sulfanylethyl]carbamoyl}propanoic acid
InChI key:BNWAEDRUOIEEBJ-FOYNPKOXSA-N

分子式:C119H203N29O30S
分子量:2552.17
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](C)N)C(C)C)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
SMILES:CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CS)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](C)N)C(C)C)C(C)C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O

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