Name: Pancreastatin (33-49), porcine
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

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HIT ID:HIT217584644
Cas No:
常用名:Pancreastatin (33-49), porcine
IUPAC:(4S)-4-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-4-carboxybutanamido]-4-carboxybutanamido]-4-carboxybutanamido]-4-carboxybutanamido]-4-{[(1S,2R)-1-{[(1S)-1-[({[(2S)-1-[(2S)-2-{[(1S)-1-[({[(1S)-1-{[(1S)-1-{[(1S)-4-carbamimidamido-1-[(carbamoylmethyl)carbamoyl]butyl]carbamoyl}-2-phenylethyl]carbamoyl}-3-methylbutyl]carbamoyl}methyl)carbamoyl]-3-carbamoylpropyl]carbamoyl}pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl}methyl)carbamoyl]ethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}butanoic acid
IUPAC:(4S)-4-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-amino-4-carbamoylbutanamido]-4-carboxybutanamido]-4-carboxybutanamido]-4-carboxybutanamido]-4-carboxybutanamido]-4-{[(1S,2R)-1-{[(1S)-1-[({[(2S)-1-[(2S)-2-{[(1S)-1-[({[(1S)-1-{[(1S)-1-{[(1S)-4-carbamimidamido-1-[(carbamoylmethyl)carbamoyl]butyl]carbamoyl}-2-phenylethyl]carbamoyl}-3-methylbutyl]carbamoyl}methyl)carbamoyl]-3-carbamoylpropyl]carbamoyl}pyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl}methyl)carbamoyl]ethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}butanoic acid
InChI key:MKZNEWGBYSSCTN-KRQMAMFESA-N

分子式:C77H119N23O30
分子量:1846.93
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](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CCC(N)=O)[C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O
SMILES:CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)NC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](N)CCC(N)=O)[C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O

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