HN-1
HIT217584742
sdf文件结构编辑类似物检索
HIT ID: HIT217584742
Cas No: T82188
分子式: C57H96N18O18
分子量: 1321.503
常用名: HN-1
氢键受体数 (HBA):
氢键供体数 (HBD):
LogP:
IUPAC: (2S)-2-[(2S)-6-amino-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-hydroxypropanoyl]pyrrolidin-2-yl]formamido}-4-methylpentanamido]-3-carbamoylpropanamido]-3-methylpentanamido]-3-(1H-imidazol-5-yl)propanamido]-3-carbamoylpropanamido]acetamido}-4-carbamoylbutanamido]hexanamido]-4-methylpentanoic acid
IUPAC: (2S)-2-[(2S)-6-amino-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(2S,3S)-2-[(2S)-2-[(2S)-2-{[(2S)-1-[(2S)-2-[(2S,3R)-2-amino-3-hydroxybutanamido]-3-hydroxypropanoyl]pyrrolidin-2-yl]formamido}-4-methylpentanamido]-3-carbamoylpropanamido]-3-methylpentanamido]-3-(1H-imidazol-5-yl)propanamido]-3-carbamoylpropanamido]acetamido}-4-carbamoylbutanamido]hexanamido]-4-methylpentanoic acid
SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(O)=O
SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)[C@@H](N)[C@@H](C)O)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(O)=O
InChI key: RFCMUGNTICGAAQ-HSVKAJNCSA-N
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