Name: (Phe13,Tyr19)-MCH (human, mouse, rat)
Rating: 5 (10 reviews)

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HIT ID:HIT220913607
Cas No:160201-86-5
常用名:(Phe13,Tyr19)-MCH (human, mouse, rat)
常用名:(Phe13,Tyr19)-MCH (human, mouse, rat)
IUPAC:(3S)-3-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-phenylpropanamido]-3-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(3R,8R,11S,14S,20S,26S,29S)-26-benzyl-20,29-bis(3-carbamimidamidopropyl)-3-{[(1S)-1-{[(1S)-3-carbamoyl-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}propyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}-14-(2-methylpropyl)-11-[2-(methylsulfanyl)ethyl]-1,9,12,15,18,21,24,27,30-nonaoxo-23-(propan-2-yl)-dotriacontahydropyrrolo[2,1-g]1,2-dithia-5,8,11,14,17,20,23,26,29-nonaazacyclodotriacontan-8-yl]carbamoyl}-4-carbamimidamidobutyl]carbamoyl}-3-methylbutyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}propanoic acid
IUPAC:(3S)-3-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-phenylpropanamido]-3-{[(1S)-1-{[(1S)-1-{[(1S)-1-{[(3R,8R,11S,14S,20S,26S,29S)-26-benzyl-20,29-bis(3-carbamimidamidopropyl)-3-{[(1S)-1-{[(1S)-3-carbamoyl-1-{[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]carbamoyl}propyl]carbamoyl}-2-(1H-indol-3-yl)ethyl]carbamoyl}-14-(2-methylpropyl)-11-[2-(methylsulfanyl)ethyl]-1,9,12,15,18,21,24,27,30-nonaoxo-23-(propan-2-yl)-dotriacontahydropyrrolo[2,1-g]1,2-dithia-5,8,11,14,17,20,23,26,29-nonaazacyclodotriacontan-8-yl]carbamoyl}-4-carbamimidamidobutyl]carbamoyl}-3-methylbutyl]carbamoyl}-3-(methylsulfanyl)propyl]carbamoyl}propanoic acid
InChI key:InChIKey=RNCHKGYTHALNQH-OVPJIUACSA-N

分子式:C109H160N30O26S4
分子量:2434.9
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:CSCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CSSC[C@H](NC(=O)C2CCCN2C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)C(NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC1=O)C(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O
SMILES:CSCC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@H]1CSSC[C@H](NC(=O)C2CCCN2C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc2ccccc2)NC(=O)C(NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCSC)NC1=O)C(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(O)=O

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