Formula |
C29H44N4O4 |
IUPAC Name |
(e,4s)-2,5-di(methyl)-4-[methyl-[(2s)-3-methyl-2-[[(2s)-3-methyl-2-(methylamino)-3-(1-methyl-6h-indol-1-ium-7a-ylium-6-id-3-yl)butanoyl]amino]butanoyl]amino]hex-2-enoate |
Molecular Mass |
512.684 g·mol−1 |
Heat of Formation |
-803.2 ± 16.7 kJ·mol−1 |
Dipole Moment |
4.72 ± 1.08 D |
Volume |
668.88 Å 3 |
Surface Area |
456.55 Å 2 |
HOMO Energy |
-8.05 ± 0.55 eV |
LUMO Energy |
-0.31 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- (e,4s)-2,5-dimethyl-4-[methyl-[(2s)-3-methyl-2-[[(2s)-3-methyl-2-methylamino-3-(1-methyl-3-indolyl)-1-oxobutyl]amino]-1-oxobutyl]amino]hex-2-enoic acid
- (e,4s)-2,5-dimethyl-4-[methyl-[(2s)-3-methyl-2-[[(2s)-3-methyl-2-methylamino-3-(1-methylindol-3-yl)butanoyl]amino]butanoyl]amino]hex-2-enoic acid
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InChIKey |
XLMQHOWHUACFMZ-OMZRSGGISA-N |
QR Code |
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Links |
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Elements |
H
C
O
N
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