M2e, human
HIT214315339
sdf文件结构编辑类似物检索
HIT ID: HIT214315339
Cas No: 251359-24-7
分子式: C107H170N32O41S2
分子量: 2624.84
常用名: M2e, human
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-[(2R)-2-{2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-{[(2S)-1-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-4-methylpentanamido]-4-methylpentanamido]-3-hydroxybutanamido]-4-carboxybutanamido]-3-methylbutanamido]-4-carboxybutanamido]-3-hydroxybutanoyl]pyrrolidin-2-yl]formamido}-3-methylpentanamido]-5-carbamimidamidopentanamido]-3-carbamoylpropanamido]-4-carboxybutanamido]-3-(1H-indol-3-yl)propanamido]acetamido}-3-sulfanylpropanamido]-5-carbamimidamidopentanamido]-3-sulfanylpropanamido]-3-carbamoylpropanamido]-3-carboxypropanamido]-3-hydroxypropanamido]-3-hydroxypropanamido]butanedioic acid
IUPAC: (2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-[(2R)-2-{2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3S)-2-{[(2S)-1-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-hydroxypropanamido]-4-methylpentanamido]-4-methylpentanamido]-3-hydroxybutanamido]-4-carboxybutanamido]-3-methylbutanamido]-4-carboxybutanamido]-3-hydroxybutanoyl]pyrrolidin-2-yl]formamido}-3-methylpentanamido]-5-carbamimidamidopentanamido]-3-carbamoylpropanamido]-4-carboxybutanamido]-3-(1H-indol-3-yl)propanamido]acetamido}-3-sulfanylpropanamido]-5-carbamimidamidopentanamido]-3-sulfanylpropanamido]-3-carbamoylpropanamido]-3-carboxypropanamido]-3-hydroxypropanamido]-3-hydroxypropanamido]butanedioic acid
SMILES: CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CO)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(O)=O
SMILES: CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](N)CO)[C@@H](C)O)C(C)C)[C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)N[C@@H](CS)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(O)=O
InChI key: RTQXWAJLBWSLHM-MCSFJBBVSA-N
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