HIT ID: HIT217584697
Cas No: T81841
分子式: C112H194N40O34S
分子量: 2677.09
常用名: MBP (146-170)
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-(2-{2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S,3S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-{2-[(2S)-2-[(2S)-2-aminopropanamido]-4-carbamoylbutanamido]acetamido}-3-hydroxybutanamido]-4-methylpentanamido]-3-hydroxypropanamido]hexanamido]-3-methylpentanamido]-3-phenylpropanamido]hexanamido]-4-methylpentanamido]acetamido}acetamido)-5-carbamimidamidopentanamido]-3-carboxypropanamido]-3-hydroxypropanamido]-5-carbamimidamidopentanamido]-3-hydroxypropanamido]acetamido}-3-hydroxypropanoyl]pyrrolidin-2-yl]formamido}-4-(methylsulfanyl)butanamido]propanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanoic acid
IUPAC: (2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-(2-{2-[(2S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S,3S)-2-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-{2-[(2S)-2-[(2S)-2-aminopropanamido]-4-carbamoylbutanamido]acetamido}-3-hydroxybutanamido]-4-methylpentanamido]-3-hydroxypropanamido]hexanamido]-3-methylpentanamido]-3-phenylpropanamido]hexanamido]-4-methylpentanamido]acetamido}acetamido)-5-carbamimidamidopentanamido]-3-carboxypropanamido]-3-hydroxypropanamido]-5-carbamimidamidopentanamido]-3-hydroxypropanamido]acetamido}-3-hydroxypropanoyl]pyrrolidin-2-yl]formamido}-4-(methylsulfanyl)butanamido]propanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanoic acid
SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)N)[C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)N)[C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
InChI key: DLZWYEIFWCNORX-MFULJDOFSA-N