ANP [Des18-22] 4-23 amide rat | CAS 111863-73-1

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HIT ID:HIT219250611
Cas No:111863-73-1
常用名:ANP [Des18-22] 4-23 amide rat
IUPAC:2-[(4R,7S,13S,16S,19S,22S,25S,34S,37R)-37-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-hydroxypropanamido]-3-hydroxypropanamido]-34-benzyl-13,22-bis[(2S)-butan-2-yl]-16,25-bis(3-carbamimidamidopropyl)-4-carbamoyl-7-methyl-6,9,12,15,18,21,24,27,30,33,36-undecaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35-undecaazacyclooctatriacontan-19-yl]acetic acid
IUPAC:2-[(4R,7S,13S,16S,19S,22S,25S,34S,37R)-37-[(2S)-2-[(2S)-2-[(2S)-2-amino-5-carbamimidamidopentanamido]-3-hydroxypropanamido]-3-hydroxypropanamido]-34-benzyl-13,22-bis[(2S)-butan-2-yl]-16,25-bis(3-carbamimidamidopropyl)-4-carbamoyl-7-methyl-6,9,12,15,18,21,24,27,30,33,36-undecaoxo-1,2-dithia-5,8,11,14,17,20,23,26,29,32,35-undecaazacyclooctatriacontan-19-yl]acetic acid
InChI key:VDURFYRODPWWLV-OGKRBCGNSA-N

分子式:C64H107N25O19S2
分子量:1594.84
氢键供体数 (HBD):
氢键受体数 (HBA):
LogP:
SMILES:[H][C@]1(NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@]([H])(NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](C)NC(=O)CNC1=O)C(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCNC(N)=N)[C@@H](C)CC)[C@@H](C)CC
SMILES:[H][C@]1(NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@]([H])(NC(=O)[C@H](CCCNC(N)=N)NC(=O)CNC(=O)CNC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](C)NC(=O)CNC1=O)C(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](N)CCCNC(N)=N)[C@@H](C)CC)[C@@H](C)CC

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