Mal-PEG4-VCP-NB
HIT218849214
sdf文件结构编辑类似物检索
HIT ID: HIT218849214
Cas No: 1345681-54-0
分子式: C38H49N7O15
分子量: 843.844
常用名: Mal-PEG4-VCP-NB
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: {4-[(2S)-5-(carbamoylamino)-2-[(2S)-2-[14-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-2-oxo-3,6,9,12-tetraoxa-1-azatetradecan-1-yl]-3-methylbutanamido]pentanamido]phenyl}methyl 4-nitrophenyl carbonate
IUPAC: {4-[(2S)-5-(carbamoylamino)-2-[(2S)-2-[14-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-2-oxo-3,6,9,12-tetraoxa-1-azatetradecan-1-yl]-3-methylbutanamido]pentanamido]phenyl}methyl 4-nitrophenyl carbonate
SMILES: CC(C)[C@H](NC(=O)OCCOCCOCCOCCN1C(=O)C=CC1=O)C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(COC(=O)Oc2ccc(cc2)[N+]([O-])=O)cc1
SMILES: CC(C)[C@H](NC(=O)OCCOCCOCCOCCN1C(=O)C=CC1=O)C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(COC(=O)Oc2ccc(cc2)[N+]([O-])=O)cc1
InChI key: YWPLDQPFHOJRLD-DITALETJSA-N
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