Name: Lpigppal
Rating: 5 (10 reviews)

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HIT ID:HIT212718997
Cas No:98751-93-0
常用名:Lpigppal
别名:Lysyl-prolyl-isoleucyl-glutamyl-phenylalanyl-4-nitrophenylalanyl-arginyl-leucine
别名:Lysyl-prolyl-isoleucyl-glutamyl-phenylalanyl-4-nitrophenylalanyl-arginyl-leucine
IUPAC:(2S)-2-[(2S)-5-carbamimidamido-2-[(2S)-2-[(2S)-2-[(2S)-4-carboxy-2-[(2S,3S)-2-{[(2S)-1-[(2S)-2,6-diaminohexanoyl]pyrrolidin-2-yl]formamido}-3-methylpentanamido]butanamido]-3-phenylpropanamido]-3-(4-nitrophenyl)propanamido]pentanamido]-4-methylpentanoic acid
IUPAC:(2S)-2-[(2S)-5-carbamimidamido-2-[(2S)-2-[(2S)-2-[(2S)-4-carboxy-2-[(2S,3S)-2-{[(2S)-1-[(2S)-2,6-diaminohexanoyl]pyrrolidin-2-yl]formamido}-3-methylpentanamido]butanamido]-3-phenylpropanamido]-3-(4-nitrophenyl)propanamido]pentanamido]-4-methylpentanoic acid
InChI key:DTERXEXWWITKDZ-IQZOZZQVSA-N

分子式:C52H79N13O13
分子量:1094.282
氢键供体数 (HBD):13
氢键受体数 (HBA):18
LogP:-3.6031754
SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(cc1)[N+]([O-])=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(O)=O
SMILES:CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(cc1)[N+]([O-])=O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(O)=O

Lysyl-prolyl-isoleucyl-glutamyl-phenylalanyl-4-nitrophenylalanyl-arginyl-leucine is a bioactive chemical.

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