Name: LDV FITC
Rating: 5 (10 reviews)

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sdf 文件

结构编辑

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HIT ID:HIT212709466
Cas No:1207610-07-8
常用名:LDV FITC
IUPAC:4-{[(5-carboxy-5-{2-[2-({1-[2-(3-carboxy-2-{4-methyl-2-[2-(4-{[(2-methylphenyl)carbamoyl]amino}phenyl)acetamido]pentanamido}propanamido)-3-methylbutanoyl]pyrrolidin-2-yl}formamido)propanamido]propanamido}pentyl)carbamothioyl]amino}-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid
IUPAC:4-{[(5-carboxy-5-{2-[2-({1-[2-(3-carboxy-2-{4-methyl-2-[2-(4-{[(2-methylphenyl)carbamoyl]amino}phenyl)acetamido]pentanamido}propanamido)-3-methylbutanoyl]pyrrolidin-2-yl}formamido)propanamido]propanamido}pentyl)carbamothioyl]amino}-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid
InChI key:PAAUNHNWVWSJKI-UHFFFAOYSA-N

分子式:C69H81N11O17S
分子量:1368.53
氢键供体数 (HBD):14
氢键受体数 (HBA):17
LogP:4.398064
SMILES:CC(C)CC(NC(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1)C(=O)NC(CC(O)=O)C(=O)NC(C(C)C)C(=O)N1CCCC1C(=O)NC(C)C(=O)NC(C)C(=O)NC(CCCCNC(=S)Nc1ccc(C(O)=O)c(c1)-c1c2ccc(O)cc2oc2cc(=O)ccc12)C(O)=O
SMILES:CC(C)CC(NC(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1)C(=O)NC(CC(O)=O)C(=O)NC(C(C)C)C(=O)N1CCCC1C(=O)NC(C)C(=O)NC(C)C(=O)NC(CCCCNC(=S)Nc1ccc(C(O)=O)c(c1)-c1c2ccc(O)cc2oc2cc(=O)ccc12)C(O)=O

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