Bi-Mc-VC-PAB-MMAE
HIT214983395
sdf文件结构编辑类似物检索
HIT ID: HIT214983395
Cas No: 1620837-70-8
分子式: C71H104N12O18
分子量: 1413.679
常用名: Bi-Mc-VC-PAB-MMAE
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: {4-[(2S)-2-[(2S)-2-(2-{[1,3-bis(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)propan-2-yl]oxy}acetamido)-3-methylbutanamido]-5-(carbamoylamino)pentanamido]phenyl}methyl N-[(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]-N-methylcarbamate
IUPAC: {4-[(2S)-2-[(2S)-2-(2-{[1,3-bis(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)propan-2-yl]oxy}acetamido)-3-methylbutanamido]-5-(carbamoylamino)pentanamido]phenyl}methyl N-[(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]-N-methylcarbamate
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)OCc1ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)COC(CN2C(=O)C=CC2=O)CN2C(=O)C=CC2=O)C(C)C)cc1)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)OCc1ccc(NC(=O)[C@H](CCCNC(N)=O)NC(=O)[C@@H](NC(=O)COC(CN2C(=O)C=CC2=O)CN2C(=O)C=CC2=O)C(C)C)cc1)C(C)C)[C@H](OC)[C@@H](C)C(=O)N[C@H](C)[C@@H](O)c1ccccc1
InChI key: LGNKBBQOTXBJFY-USLNFXPWSA-N
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