Name: NOTA-P2-RM26
Rating: 5 (10 reviews)

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sdf 文件

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HIT ID:HIT219159072
Cas No:1446005-10-2
常用名:NOTA-P2-RM26
别名:NOTA-PEG2-[D-Phe6,Sta13,Leu14]bombesin, NOTA-P2 RM26, NOTA P2-RM26
别名:NOTA-PEG2-[D-Phe6,Sta13,Leu14]bombesin, NOTA-P2 RM26, NOTA P2-RM26
IUPAC:2-{4-[({2-[2-({[(1R)-1-{[(1S)-3-carbamoyl-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-[({[(1S)-1-{[(2S,3S)-1-{[(1S)-1-carbamoyl-3-methylbutyl]carbamoyl}-2-hydroxy-5-methylhexan-3-yl]carbamoyl}-2-(1H-imidazol-5-yl)ethyl]carbamoyl}methyl)carbamoyl]-2-methylpropyl]carbamoyl}ethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}propyl]carbamoyl}-2-phenylethyl]carbamoyl}methoxy)ethoxy]ethyl}carbamoyl)methyl]-7-(carboxymethyl)-1,4,7-triazonan-1-yl}acetic acid
IUPAC:2-{4-[({2-[2-({[(1R)-1-{[(1S)-3-carbamoyl-1-{[(1S)-1-{[(1S)-1-{[(1S)-1-[({[(1S)-1-{[(2S,3S)-1-{[(1S)-1-carbamoyl-3-methylbutyl]carbamoyl}-2-hydroxy-5-methylhexan-3-yl]carbamoyl}-2-(1H-imidazol-5-yl)ethyl]carbamoyl}methyl)carbamoyl]-2-methylpropyl]carbamoyl}ethyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}propyl]carbamoyl}-2-phenylethyl]carbamoyl}methoxy)ethoxy]ethyl}carbamoyl)methyl]-7-(carboxymethyl)-1,4,7-triazonan-1-yl}acetic acid
InChI key:MZMIUKVXOOFRJV-MXOQNATHSA-N

分子式:C73H110N18O19
分子量:1543.79
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)COCCOCCNC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CC1)C(C)C)[C@@H](O)CC(=O)N[C@@H](CC(C)C)C(N)=O
SMILES:CC(C)C[C@H](NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](Cc1ccccc1)NC(=O)COCCOCCNC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CC1)C(C)C)[C@@H](O)CC(=O)N[C@@H](CC(C)C)C(N)=O

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