Name: Nuzefatide
Rating: 5 (10 reviews)

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类似物检索

HIT ID:HIT219619454
Cas No:2598213-64-8
常用名:Nuzefatide
IUPAC:(3S)-3-[(2S)-2-[(2S)-2-aminopropanamido]-6-carbamimidamidohexanamido]-3-{[(9R,13R,15S,18S,24S,30S,33S,36R,39S,42S,48S,51R,54S,57S,60R)-57-(4-carbamimidamidobutyl)-60-carbamoyl-24-(carbamoylmethyl)-51-(carboxymethyl)-13-hydroxy-42-[(1H-imidazol-5-yl)methyl]-54-[(1H-indol-3-yl)methyl]-18,33,39-tris(2-methylpropyl)-4,10,16,19,22,25,31,34,37,40,43,49,52,55,58,65,68-heptadecaoxo-21-(propan-2-yl)-7,62,71-trithia-1,3,11,17,20,23,26,32,35,38,41,44,50,53,56,59,66-heptadecaazahexacyclo[34.31.5.1^{3,66}.0^{11,15}.0^{26,30}.0^{44,48}]triheptacontan-9-yl]carbamoyl}propanoic acid
IUPAC:(3S)-3-[(2S)-2-[(2S)-2-aminopropanamido]-6-carbamimidamidohexanamido]-3-{[(9R,13R,15S,18S,24S,30S,33S,36R,39S,42S,48S,51R,54S,57S,60R)-57-(4-carbamimidamidobutyl)-60-carbamoyl-24-(carbamoylmethyl)-51-(carboxymethyl)-13-hydroxy-42-[(1H-imidazol-5-yl)methyl]-54-[(1H-indol-3-yl)methyl]-18,33,39-tris(2-methylpropyl)-4,10,16,19,22,25,31,34,37,40,43,49,52,55,58,65,68-heptadecaoxo-21-(propan-2-yl)-7,62,71-trithia-1,3,11,17,20,23,26,32,35,38,41,44,50,53,56,59,66-heptadecaazahexacyclo[34.31.5.1^{3,66}.0^{11,15}.0^{26,30}.0^{44,48}]triheptacontan-9-yl]carbamoyl}propanoic acid
InChI key:InChIKey=XVSXWJXWPNXBEG-BMANWXJTSA-N

分子式:C105H162N32O27S3
分子量:2400.83
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@@]12CCCN1C(=O)[C@H](CC(N)=O)NC(=O)C(NC(=O)[C@H](CC(C)C)NC(=O)[C@]1([H])C[C@@H](O)CN1C(=O)[C@H](CSCCC(=O)N1CN3CN(C1)C(=O)CCSC[C@]([H])(NC(=O)[C@H](CC(C)C)NC2=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@]1([H])C(=O)N[C@H](CC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(N)=N)C(=O)N[C@@H](CSCCC3=O)C(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCNC(N)=N)NC(=O)[C@H](C)N)C(C)C
SMILES:[H][C@@]12CCCN1C(=O)[C@H](CC(N)=O)NC(=O)C(NC(=O)[C@H](CC(C)C)NC(=O)[C@]1([H])C[C@@H](O)CN1C(=O)[C@H](CSCCC(=O)N1CN3CN(C1)C(=O)CCSC[C@]([H])(NC(=O)[C@H](CC(C)C)NC2=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@@]1([H])C(=O)N[C@H](CC(O)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(N)=N)C(=O)N[C@@H](CSCCC3=O)C(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCNC(N)=N)NC(=O)[C@H](C)N)C(C)C

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