Name: LEP(116-130)(mouse)TFA(258276-95-8 free base)
Rating: 5 (10 reviews)

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HIT ID:HIT213840281
Cas No:2828433-16-3
常用名:LEP(116-130)(mouse)TFA(258276-95-8 free base)
常用名:LEP(116-130)(mouse)TFA(258276-95-8 free base)
IUPAC:(4S)-4-{[(2S)-1-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S,3R)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-sulfanylpropanamido]-3-hydroxypropanamido]-4-methylpentanoyl]pyrrolidin-2-yl]formamido}-4-carbamoylbutanamido]-3-hydroxybutanamido]-3-hydroxypropanamido]acetamido}-4-methylpentanamido]-4-carbamoylbutanamido]hexanoyl]pyrrolidin-2-yl]formamido}-4-{[(1S)-1-carbamoyl-2-hydroxyethyl]carbamoyl}butanoic acid; trifluoroacetic acid
IUPAC:(4S)-4-{[(2S)-1-[(2S)-6-amino-2-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S,3R)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S)-2-[(2R)-2-[(2S)-2-amino-3-hydroxypropanamido]-3-sulfanylpropanamido]-3-hydroxypropanamido]-4-methylpentanoyl]pyrrolidin-2-yl]formamido}-4-carbamoylbutanamido]-3-hydroxybutanamido]-3-hydroxypropanamido]acetamido}-4-methylpentanamido]-4-carbamoylbutanamido]hexanoyl]pyrrolidin-2-yl]formamido}-4-{[(1S)-1-carbamoyl-2-hydroxyethyl]carbamoyl}butanoic acid; trifluoroacetic acid
InChI key:WIBKTTGYVDCTKZ-RFBLBKENSA-N

分子式:C66H110F3N19O26S
分子量:1674.77
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:OC(=O)C(F)(F)F.CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@@H](N)CO)[C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(N)=O
SMILES:OC(=O)C(F)(F)F.CC(C)C[C@H](NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@@H](N)CO)[C@@H](C)O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CO)C(N)=O

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