HIT ID: HIT218698053

Cas No: 222018-18-0

分子式: C115H184N30O24

分子量: 2370.923

常用名: (4S)-4-{[(1S)-1-{[(1S)-5-amino-1-{[(2S,3S)-1-[(2S)-2-{[(2S)-3-carbamoyl-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl}pyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]carbamoyl}pentyl]carbamoyl}-3-carboxypropyl]carbamoyl}-4-[(2S)-2-[(2S)-6-amino-2-[(2S)-5-carbamimidamido-2-[(2S)-5-carbamimidamido-2-[(2S)-2-[(2S)-5-carbamimidamido-2-[(2S)-3-(4-hydroxyphenyl)-2-{2-[(2S)-3-(4-hydroxyphenyl)-2-octadecanamidopropanamido]acetamido}propanamido]pentanamido]-4-methylpentanamido]pentanamido]pentanamido]hexanamido]-3-(1H-indol-3-yl)propanamido]butanoic acid, Lyn peptide inhibitor

氢键受体数 (HBA):

氢键供体数 (HBD):

LogP:

IUPAC: (4S)-4-{[(1S)-1-{[(1S)-5-amino-1-{[(2S,3S)-1-[(2S)-2-{[(2S)-3-carbamoyl-1-[(2S)-2-carbamoylpyrrolidin-1-yl]-1-oxopropan-2-yl]carbamoyl}pyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]carbamoyl}pentyl]carbamoyl}-3-carboxypropyl]carbamoyl}-4-[(2S)-2-[(2S)-6-amino-2-[(2S)-5-carbamimidamido-2-[(2S)-5-carbamimidamido-2-[(2S)-2-[(2S)-5-carbamimidamido-2-[(2S)-3-(4-hydroxyphenyl)-2-{2-[(2S)-3-(4-hydroxyphenyl)-2-octadecanamidopropanamido]acetamido}propanamido]pentanamido]-4-methylpentanamido]pentanamido]pentanamido]hexanamido]-3-(1H-indol-3-yl)propanamido]butanoic acid

SMILES: CCCCCCCCCCCCCCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(N)=O

InChI key: MITSVNFZLBORMW-QMGLJYLZSA-N