Name: Kemptamide
Rating: 5 (10 reviews)

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HIT ID:HIT212719010
Cas No:89315-28-6
常用名:Kemptamide
IUPAC:(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-6-amino-2-[(2S)-2,6-diaminohexanamido]hexanamido]-5-carbamimidamidopentanoyl]pyrrolidin-2-yl]formamido}-N-[(1S)-4-carbamimidamido-1-{[(1S)-1-{[(1S,2R)-1-{[(1S)-1-{[(1S)-2-carbamoyl-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-carbamoyl-2-hydroxyethyl]carbamoyl}-2-phenylethyl]carbamoyl}-2-methylpropyl]carbamoyl}ethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}ethyl]carbamoyl}butyl]pentanediamide
IUPAC:(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-6-amino-2-[(2S)-2,6-diaminohexanamido]hexanamido]-5-carbamimidamidopentanoyl]pyrrolidin-2-yl]formamido}-N-[(1S)-4-carbamimidamido-1-{[(1S)-1-{[(1S,2R)-1-{[(1S)-1-{[(1S)-2-carbamoyl-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-carbamoyl-2-hydroxyethyl]carbamoyl}-2-phenylethyl]carbamoyl}-2-methylpropyl]carbamoyl}ethyl]carbamoyl}-2-hydroxyethyl]carbamoyl}-2-hydroxypropyl]carbamoyl}ethyl]carbamoyl}butyl]pentanediamide
InChI key:XXCSQHMDTJAWNX-PVKGJVGDSA-N

分子式:C65H112N24O18
分子量:1517.761
氢键供体数 (HBD):26
氢键受体数 (HBA):27
LogP:-12.948944
SMILES:CC(C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)[C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(N)=O
SMILES:CC(C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)[C@@H](C)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(N)=O

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