PSMA–DA1 | PSMA–DA1 | CAS 2703051-77-6 | AnyMole

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HIT214323693

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HIT214323693

HIT ID:HIT214323693
Cas No:2703051-77-6
常用名:PSMA–DA1
别名:PSMA–DA1
IUPAC:(2S)-2-({[(1S)-1-carboxy-5-{4-carboxy-4-[7-(1-carboxy-3-{[(1S)-1-carboxy-5-[4-(4-iodophenyl)butanamido]pentyl]carbamoyl}propyl)-4,10-bis(carboxymethyl)-1,4,7,10-tetraazacyclododecan-1-yl]butanamido}pentyl]carbamoyl}amino)pentanedioic acid
IUPAC:(2S)-2-({[(1S)-1-carboxy-5-{4-carboxy-4-[7-(1-carboxy-3-{[(1S)-1-carboxy-5-[4-(4-iodophenyl)butanamido]pentyl]carbamoyl}propyl)-4,10-bis(carboxymethyl)-1,4,7,10-tetraazacyclododecan-1-yl]butanamido}pentyl]carbamoyl}amino)pentanedioic acid
InChI key:OHPZZCRXHKZSRE-INZPCORDSA-N

分子式:C50H76IN9O20
分子量:1250.105
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)CCC(N1CCN(CC(O)=O)CCN(CCN(CC(O)=O)CC1)C(CCC(=O)N[C@@H](CCCCNC(=O)CCCc1ccc(I)cc1)C(O)=O)C(O)=O)C(O)=O)C(O)=O)C(O)=O
SMILES:OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)CCC(N1CCN(CC(O)=O)CCN(CCN(CC(O)=O)CC1)C(CCC(=O)N[C@@H](CCCCNC(=O)CCCc1ccc(I)cc1)C(O)=O)C(O)=O)C(O)=O)C(O)=O)C(O)=O

PSMA–DA1 may be a useful PSMA-targeting radiotheranostic agent.

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TargetMolSC
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¥ 10,600.00
1

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