Aspergillamide B

(2S)-2-acetamido-N-[(2S)-1-[[(E)-2-(1H-indol-3-yl)ethenyl]amino]-1-oxo-3-phenylpropan-2-yl]-N,4-dimethylpentanamide

Also Known As: Aspergillamide B|J1.002.334C|(2S)-2-acetamido-N-[(2S)-1-[[(E)-2-(1H-indol-3-yl)ethenyl]amino]-1-oxo-3-phenylpropan-2-yl]-N,4-dimethylpentanamide|Ac-L-Leu-N-Methyl-L-Phe-[(E)-2-(1H-indole-3-yl)ethenyl]NH2|(2S)-2-acetamido-N-((2S)-1-(((E)-2-(1H-indol-3-yl)ethenyl)amino)-1-oxo-3-phenylpropan-2-yl)-N,4-dimethylpentanamide|(2S)-2-acetamido-N-[(1S)-1-{[(1E)-2-(1H-indol-3-yl)ethenyl]carbamoyl}-2-phenylethyl]-N,4-dimethylpentanamide|N-[(2E)-2-(1H-Indole-3-yl)ethenyl]-Nalpha-methyl-Nalpha-(N-acetyl-L-leucyl)-L-phenylalaninamide

Molecular Formula	C28H34N4O3
Molecular Weight	474.2631 g/mol
LogP	3.8753
Topological Polar Surface Area	94.3 Ų
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	3
Rotatable Bonds	10
Exact Mass	474.2631
Monoisotopic Mass	474.2631
Heavy Atoms	35
Complexity	1183.1453

Chemical Identifiers

CAS Number	217489-32-2
SMILES	CC(C)C[C@@H](C(=O)N(C)[C@@H](CC1=CC=CC=C1)C(=O)N/C=C/C2=CNC3=CC=CC=C32)NC(=O)C