E-7974
(E,4S)-4-[[(2S)-3,3-dimethyl-2-[[(2R)-1-propan-2-ylpiperidine-2-carbonyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid
Molecular Identity
E-7974
(E,4S)-4-[[(2S)-3,3-dimethyl-2-[[(2R)-1-propan-2-ylpiperidine-2-carbonyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid
PubChem CID: 10127315
2D Structure
Properties
C24H43N3O4
Molecular Formula
437.60
Molecular Weight
g/mol
437.3254
Exact Mass
Da
1.9
XLogP
Drug-like (Lipinski: < 5)
90
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
5
H-Bond Acceptors
679
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)C(C=C(C)C(=O)O)N(C)C(=O)C(C(C)(C)C)NC(=O)C1CCCCN1C(C)CIsomeric SMILES
SMILES: CC(C)[C@@H](/C=C(\C)/C(=O)O)N(C)C(=O)[C@H](C(C)(C)C)NC(=O)[C@H]1CCCCN1C(C)CSynonyms(19)
E7974610787-07-01BO0C11BSHE 7974ER-807974E-7974DTXSID101026331(E,4S)-4-(((2S)-2-(((2R)-1-Isopropylpiperidine-2-carbonyl)amino)-3,3-dimethyl-butanoyl)-methyl-amino)-2,5-dimethyl-hex-2-enoic acid2-Hexenoic acid, 4-(((2S)-3,3-dimethyl-2-((((2R)-1-(1-methylethyl)-2-piperidinyl)carbonyl)amino)-1-oxobutyl)methylamino)-2,5-dimethyl-, (2E,4S)-RefChem:136147E7974 cpdHemiasterlin Analog E7974DTXCID301510564UNII-1BO0C11BSH(E,4S)-4-[[(2S)-3,3-dimethyl-2-[[(2R)-1-propan-2-ylpiperidine-2-carbonyl]amino]butanoyl]-methylamino]-2,5-dimethylhex-2-enoic acid
Data from PubChem (NCBI)
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