Mal-C5-Gly-Gly-Phe-MMAE | CAS 3056230-14-6

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HIT ID:HIT219136819
Cas No:3056230-14-6
常用名:Mal-C5-Gly-Gly-Phe-MMAE
IUPAC:6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-N-{[({[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-2-{[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]carbamoyl}-1-methoxy-2-methylethyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl](methyl)carbamoyl}-2-methylpropyl]carbamoyl}-2-methylpropyl](methyl)carbamoyl}-3-methylbutyl]carbamoyl}-2-phenylethyl]carbamoyl}methyl)carbamoyl]methyl}hexanamide
IUPAC:6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-N-{[({[(1S)-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(3R,4S,5S)-1-[(2S)-2-[(1R,2R)-2-{[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]carbamoyl}-1-methoxy-2-methylethyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl](methyl)carbamoyl}-2-methylpropyl]carbamoyl}-2-methylpropyl](methyl)carbamoyl}-3-methylbutyl]carbamoyl}-2-phenylethyl]carbamoyl}methyl)carbamoyl]methyl}hexanamide
InChI key:MNUOAXHWWYTZKD-NCCRWFGCSA-N

分子式:C68H104N10O14
分子量:1285.636
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]1(CCCN1C(=O)C[C@@H](OC)[C@H]([C@@H](C)CC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)CCCCCN1C(=O)C=CC1=O)C(C)C)[C@H](OC)[C@@H](C)C(=O)N[C@H](C)[C@@H](O)c1ccccc1
SMILES:[H][C@]1(CCCN1C(=O)C[C@@H](OC)[C@H]([C@@H](C)CC)N(C)C(=O)[C@@H](NC(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)CCCCCN1C(=O)C=CC1=O)C(C)C)[C@H](OC)[C@@H](C)C(=O)N[C@H](C)[C@@H](O)c1ccccc1

Mal-C5-Gly-Gly-Phe-MMAE（Compound S5）是一种用于ADC的drug-linker conjugate。该化合物由MMAE和一种linker构成，主要应用于ADC的合成及癌症研究领域。

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