(2E)-4-{[2-({N-[(Adamantan-2-Yloxy)Carbonyl]-α-Methyltryptophyl}Amino)-1-Phenylethyl]Amino}-4-Oxo-2-Butenoic Acid

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Properties Simple | Detailed

Formula C35H40N4O6
IUPAC Name (e)-4-[[(1r)-2-[[(2r)-2-(2-adamantyloxycarbonylamino)-3-(2h-indol-1-ium-2-ylium-3-yl)-2-methyl-propanoyl]amino]-1-phenyl-ethyl]amino]-4-oxo-but-2-enoic acid
Molecular Mass 612.715 g·mol−1
Heat of Formation -886.5 ± 16.7 kJ·mol−1
Dipole Moment 2.34 ± 1.08 D
Volume 745.24 Å 3
Surface Area 586.06 Å 2
HOMO Energy -8.42 ± 0.55 eV
LUMO Energy -1.17 ± eV
Point Group Symmetry C1
InChIKey REMAMJQTIPBFTH-DLJNTUGSSA-N
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