Name: RC-3095 TFA
Rating: 5 (10 reviews)

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HIT ID:HIT212659573
Cas No:1217463-61-0
常用名:RC-3095 TFA
别名:RC-3095 (TFA)
IUPAC:(2S)-N-[(1S)-1-{[(1S)-1-{[(1S)-1-[({[(1S)-1-{[(2S)-1-{[(1S)-1-carbamoyl-3-methylbutyl]amino}-4-methylpentan-2-yl]carbamoyl}-2-(1H-imidazol-5-yl)ethyl]carbamoyl}methyl)carbamoyl]-2-methylpropyl]carbamoyl}ethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]-2-{[(3R)-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-3-yl]formamido}pentanediamide; bis(trifluoroacetic acid)
IUPAC:(2S)-N-[(1S)-1-{[(1S)-1-{[(1S)-1-[({[(1S)-1-{[(2S)-1-{[(1S)-1-carbamoyl-3-methylbutyl]amino}-4-methylpentan-2-yl]carbamoyl}-2-(1H-imidazol-5-yl)ethyl]carbamoyl}methyl)carbamoyl]-2-methylpropyl]carbamoyl}ethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]-2-{[(3R)-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-3-yl]formamido}pentanediamide; bis(trifluoroacetic acid)
InChI key:ZLVAMNMELBBXGF-KTLRUKKGSA-N

分子式:C60H81F6N15O13
分子量:1334.39
氢键供体数 (HBD):11
氢键受体数 (HBA):15
LogP:-0.7529992
SMILES:OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(C)C[C@@H](CN[C@@H](CC(C)C)C(N)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1Cc2c(CN1)[nH]c1ccccc21)C(C)C
SMILES:OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC(C)C[C@@H](CN[C@@H](CC(C)C)C(N)=O)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H]1Cc2c(CN1)[nH]c1ccccc21)C(C)C

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