Name: Isocromil
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

类似物检索

HIT ID:HIT219159013
Cas No:
常用名:Isocromil
别名:2-(O-ISOPROPOXYPHENYL)-4-OXO-4H-1-BENZOPYRAN-6-CARBOXYLIC ACID
别名:2-(O-ISOPROPOXYPHENYL)-4-OXO-4H-1-BENZOPYRAN-6-CARBOXYLIC ACID
IUPAC:(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-5-carbamimidamido-2-tetradecanamidopentanamido]hexanamido]-5-carbamimidamidopentanamido]-3-hydroxybutanamido]-4-methylpentanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-4-methylpentanoic acid; trifluoroacetic acid
IUPAC:(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-[(2S)-6-amino-2-[(2S)-5-carbamimidamido-2-tetradecanamidopentanamido]hexanamido]-5-carbamimidamidopentanamido]-3-hydroxybutanamido]-4-methylpentanamido]-5-carbamimidamidopentanamido]-5-carbamimidamidopentanamido]-4-methylpentanoic acid; trifluoroacetic acid
InChI key:SPCFEKUJOXLWHQ-KWHCAZBOSA-N

分子式:C62H118F3N21O13
分子量:1422.755
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:OC(=O)C(F)(F)F.CCCCCCCCCCCCCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]([C@@H](C)O)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](CC(C)C)C(O)=O
SMILES:OC(=O)C(F)(F)F.CCCCCCCCCCCCCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]([C@@H](C)O)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](CC(C)C)C(O)=O

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