Name: β-Pompilidotoxin Acetate
Rating: 5 (10 reviews)

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HIT ID:HIT213840630
Cas No:2986315-24-4
常用名:β-Pompilidotoxin Acetate
别名:β-Pompilidotoxin Acetate(216064-36-7 Free base)
别名:β-Pompilidotoxin Acetate(216064-36-7 Free base)
IUPAC:(3S)-3-[(2S)-2-[(2S)-2-{2-[(2S,3S)-2-[(2S)-6-amino-2-[(2S,3S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-methylpentanamido]hexanamido]-3-methylpentanamido]acetamido}-4-methylpentanamido]-3-phenylpropanamido]-3-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-4-carbamimidamido-1-{[(1S)-1-carbamoyl-3-methylbutyl]carbamoyl}butyl]carbamoyl}-2-hydroxyethyl]carbamoyl}-3-methylbutyl]carbamoyl}-3-carbamoylpropyl]carbamoyl}propanoic acid; acetic acid
IUPAC:(3S)-3-[(2S)-2-[(2S)-2-{2-[(2S,3S)-2-[(2S)-6-amino-2-[(2S,3S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-methylpentanamido]hexanamido]-3-methylpentanamido]acetamido}-4-methylpentanamido]-3-phenylpropanamido]-3-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-4-carbamimidamido-1-{[(1S)-1-carbamoyl-3-methylbutyl]carbamoyl}butyl]carbamoyl}-2-hydroxyethyl]carbamoyl}-3-methylbutyl]carbamoyl}-3-carbamoylpropyl]carbamoyl}propanoic acid; acetic acid
InChI key:LSWBOOODWGHTHU-JYIROUKOSA-N

分子式:C73H128N22O19
分子量:1617.962
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC(O)=O.CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCNC(N)=N)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O
SMILES:CC(O)=O.CC[C@H](C)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCNC(N)=N)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(N)=O

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