MC-Val-Cit-PAB-MMAF
HIT212667997
sdf文件结构编辑类似物检索
HIT ID: HIT212667997
Cas No: 863971-17-9
分子式: C68H103N11O16
分子量: 1330.633
常用名: MC-Val-Cit-PAB-MMAF
氢键受体数 (HBA): 15
氢键供体数 (HBD): 8
LogP: 4.3243513
IUPAC: (2S)-2-[(2R)-2-[(R)-[(2S)-1-[(3R,4R,5S)-4-[(2S)-2-[(2S)-2-{[({4-[(2S)-5-(carbamoylamino)-2-[(2S)-2-[6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanamido]-3-methylbutanamido]pentanamido]phenyl}methoxy)carbonyl](methyl)amino}-3-methylbutanamido]-N,3-dimethylbutanamido]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl](methoxy)methyl]propanamido]-3-phenylpropanoic acid
IUPAC: (2S)-2-[(2R)-2-[(R)-[(2S)-1-[(3R,4R,5S)-4-[(2S)-2-[(2S)-2-{[({4-[(2S)-5-(carbamoylamino)-2-[(2S)-2-[6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanamido]-3-methylbutanamido]pentanamido]phenyl}methoxy)carbonyl](methyl)amino}-3-methylbutanamido]-N,3-dimethylbutanamido]-3-methoxy-5-methylheptanoyl]pyrrolidin-2-yl](methoxy)methyl]propanamido]-3-phenylpropanoic acid
SMILES: [H][C@]([C@@H](C)CC)([C@@H](CC(=O)N1CCC[C@@]1([H])[C@H](OC)[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C(=O)OCc1ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)CCCCCN2C(=O)C=CC2=O)C(C)C)cc1)C(C)C |c:87|
SMILES: [H][C@]([C@@H](C)CC)([C@@H](CC(=O)N1CCC[C@@]1([H])[C@H](OC)[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O)OC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C(=O)OCc1ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)CCCCCN2C(=O)C=CC2=O)C(C)C)cc1)C(C)C |c:87|
InChI key: BDITVJHHJUTHBB-DNIGJBFUSA-N
共显示2个结果
供应商规格单价货期纯度操作
TargetMol
SC
23805日内发货 购物车
Mcule
SC
97134-5周 购物车
TargetMol | Target Loading
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