Lysipressin Acetate
HIT212718995
sdf文件结构编辑类似物检索
HIT ID: HIT212718995
Cas No:
分子式: C48H68N12O15S2
分子量: 1117.26
常用名: Lysipressin Acetate
氢键受体数 (HBA): 15
氢键供体数 (HBD): 13
LogP: -7.5385504
IUPAC: 2-[(2S)-6-amino-2-{[(2S)-1-[(4R,7S,10S,13S,16S,19R)-19-amino-13-benzyl-10-(2-carbamoylethyl)-7-(carbamoylmethyl)-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carbonyl]pyrrolidin-2-yl]formamido}hexanamido]acetic acid; acetic acid
IUPAC: 2-[(2S)-6-amino-2-{[(2S)-1-[(4R,7S,10S,13S,16S,19R)-19-amino-13-benzyl-10-(2-carbamoylethyl)-7-(carbamoylmethyl)-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carbonyl]pyrrolidin-2-yl]formamido}hexanamido]acetic acid; acetic acid
SMILES: CC(O)=O.NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(O)=O
SMILES: CC(O)=O.NCCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(O)=O
InChI key: MSNBBKCTGMZLMA-DHSVNZEYSA-N
共显示2个结果
供应商规格单价货期纯度操作
TargetMol
SC
5785日内发货 购物车
Mcule
SC
68014-5周 购物车
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