Crosstide
HIT212761328
sdf文件结构编辑类似物检索
HIT ID: HIT212761328
Cas No: 171783-05-4
分子式: C48H77N17O17
分子量: 1164.246
常用名: Crosstide
氢键受体数 (HBA): 24
氢键供体数 (HBD): 21
LogP: -13.359856
IUPAC: (4S)-4-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-{[(2S)-1-[(2S)-2-(2-aminoacetamido)-5-carbamimidamidopentanoyl]pyrrolidin-2-yl]formamido}-5-carbamimidamidopentanamido]-3-hydroxybutanamido]-3-hydroxypropanamido]-3-hydroxypropanamido]-3-phenylpropanamido]propanamido]-4-[(carboxymethyl)carbamoyl]butanoic acid
IUPAC: (4S)-4-[(2S)-2-[(2S)-2-[(2S)-2-[(2S)-2-[(2S,3R)-2-[(2S)-2-{[(2S)-1-[(2S)-2-(2-aminoacetamido)-5-carbamimidamidopentanoyl]pyrrolidin-2-yl]formamido}-5-carbamimidamidopentanamido]-3-hydroxybutanamido]-3-hydroxypropanamido]-3-hydroxypropanamido]-3-phenylpropanamido]propanamido]-4-[(carboxymethyl)carbamoyl]butanoic acid
SMILES: C[C@@H](O)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)CN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(O)=O
SMILES: C[C@@H](O)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)CN)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(O)=O)C(=O)NCC(O)=O
InChI key: KJAXEBRGQOHHOY-VXRVIWLSSA-N
共显示2个结果
供应商规格单价货期纯度操作
TargetMol
SC
9255日内发货 购物车
AA Blocks
BB
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