Name: 2B-(SP)
Rating: 5 (10 reviews)

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结构编辑

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HIT ID:HIT214316703
Cas No:186901-17-7
常用名:2B-(SP)
IUPAC:(4S)-4-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]propanamido]propanamido]-4-carboxybutanamido]-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-4-carbamimidamido-1-{[(1S)-1-[({[(2S)-1-[(2S)-2-{[(1S)-3-carbamoyl-1-{[(1S)-1-carboxy-3-methylbutyl]carbamoyl}propyl]carbamoyl}pyrrolidin-1-yl]-1-oxo-3-(phosphonooxy)propan-2-yl]carbamoyl}methyl)carbamoyl]ethyl]carbamoyl}butyl]carbamoyl}-2-hydroxyethyl]carbamoyl}-2-carboxyethyl]carbamoyl}-3-methylbutyl]carbamoyl}butanoic acid
IUPAC:(4S)-4-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]propanamido]propanamido]-4-carboxybutanamido]-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-4-carbamimidamido-1-{[(1S)-1-[({[(2S)-1-[(2S)-2-{[(1S)-3-carbamoyl-1-{[(1S)-1-carboxy-3-methylbutyl]carbamoyl}propyl]carbamoyl}pyrrolidin-1-yl]-1-oxo-3-(phosphonooxy)propan-2-yl]carbamoyl}methyl)carbamoyl]ethyl]carbamoyl}butyl]carbamoyl}-2-hydroxyethyl]carbamoyl}-2-carboxyethyl]carbamoyl}-3-methylbutyl]carbamoyl}butanoic acid
InChI key:LBVCQYQHTKHZRY-APZQELAWSA-N

分子式:C71H123N26O29P
分子量:1835.892
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](COP(O)(O)=O)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(O)=O
SMILES:CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](COP(O)(O)=O)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CCCNC(N)=N)C(O)=O

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