Name: Z-TPE-2DEVD
Rating: 5 (10 reviews)

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HIT ID:HIT218887480
Cas No:1426396-40-8
常用名:Z-TPE-2DEVD
IUPAC:(4S)-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-carbamoyl-2-[1-({4-[(1Z)-2-[4-({4-[(2S)-2-carbamoyl-2-[(2S)-3-carboxy-2-[(2S)-2-[(2S)-4-carboxy-2-[(2S)-3-carboxy-2-acetamidopropanamido]butanamido]-3-methylbutanamido]propanamido]ethyl]-1H-1,2,3-triazol-1-yl}methyl)phenyl]-1,2-diphenylethenyl]phenyl}methyl)-1H-1,2,3-triazol-4-yl]ethyl]carbamoyl}-2-carboxyethyl]carbamoyl}-2-methylpropyl]carbamoyl}-4-[(2S)-3-carboxy-2-acetamidopropanamido]butanoic acid
IUPAC:(4S)-4-{[(1S)-1-{[(1S)-1-{[(1S)-1-carbamoyl-2-[1-({4-[(1Z)-2-[4-({4-[(2S)-2-carbamoyl-2-[(2S)-3-carboxy-2-[(2S)-2-[(2S)-4-carboxy-2-[(2S)-3-carboxy-2-acetamidopropanamido]butanamido]-3-methylbutanamido]propanamido]ethyl]-1H-1,2,3-triazol-1-yl}methyl)phenyl]-1,2-diphenylethenyl]phenyl}methyl)-1H-1,2,3-triazol-4-yl]ethyl]carbamoyl}-2-carboxyethyl]carbamoyl}-2-methylpropyl]carbamoyl}-4-[(2S)-3-carboxy-2-acetamidopropanamido]butanoic acid
InChI key:VQCADSUTMGZNAC-PTNKPEQWSA-N

分子式:C78H94N18O24
分子量:1667.712
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1cn(Cc2ccc(cc2)C(=C(\c2ccccc2)c2ccc(Cn3cc(C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(C)C)C(N)=O)nn3)cc2)\c2ccccc2)nn1)C(N)=O
SMILES:CC(C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1cn(Cc2ccc(cc2)C(=C(\c2ccccc2)c2ccc(Cn3cc(C[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC(C)=O)C(C)C)C(N)=O)nn3)cc2)\c2ccccc2)nn1)C(N)=O

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