DBCO-Val-Cit-PABC-PNP
HIT212667624
sdf文件结构编辑类似物检索
HIT ID: HIT212667624
Cas No:
分子式: C46H49N7O10
分子量: 859.937
常用名: DBCO-Val-Cit-PABC-PNP
氢键受体数 (HBA): 9
氢键供体数 (HBD): 5
LogP: 5.7099195
IUPAC: {4-[(2S)-2-[(2R)-2-(6-{2-azatricyclo[10.4.0.0^{4,9}]hexadeca-1(12),4(9),5,7,13,15-hexaen-10-yn-2-yl}-6-oxohexanamido)-3-methylbutanamido]-5-(carbamoylamino)pentanamido]phenyl}methyl 4-nitrophenyl carbonate
IUPAC: {4-[(2S)-2-[(2R)-2-(6-{2-azatricyclo[10.4.0.0^{4,9}]hexadeca-1(12),4(9),5,7,13,15-hexaen-10-yn-2-yl}-6-oxohexanamido)-3-methylbutanamido]-5-(carbamoylamino)pentanamido]phenyl}methyl 4-nitrophenyl carbonate
SMILES: CC(C)[C@@H](NC(=O)CCCCC(=O)N1Cc2ccccc2C#Cc2ccccc12)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)CCCCC(=O)N1Cc2ccccc2C#Cc2ccccc12)C(=O)N[C@@H](CCCNC(N)=O)C(=O)Nc1ccc(COC(=O)Oc2ccc(cc2)[N+]([O-])=O)cc1
InChI key: RJGJTFMRBABKDS-VZZHGAMSSA-N
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