Formula |
C29H42N6O4 |
IUPAC Name |
4-[[(3s)-1-[2-[(2s)-2-[2-(6-carbamimidoyl-1-ethyl-indol-2-yl)ethyl]pyrrolidin-1-yl]-2-oxo-ethyl]-2-oxo-azepan-3-yl]amino]butanoic acid |
Molecular Mass |
538.682 g·mol−1 |
Heat of Formation |
-640.0 ± 16.7 kJ·mol−1 |
Dipole Moment |
5.68 ± 1.08 D |
Volume |
688.17 Å 3 |
Surface Area |
524.73 Å 2 |
HOMO Energy |
-8.28 ± 0.55 eV |
LUMO Energy |
0.03 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 4-[[(3s)-1-[2-[(2s)-2-[2-(6-amidino-1-ethyl-indol-2-yl)ethyl]pyrrolidin-1-yl]-2-keto-ethyl]-2-keto-azepan-3-yl]amino]butyric acid
- 4-[[(3s)-1-[2-[(2s)-2-[2-(6-carbamimidoyl-1-ethyl-2-indolyl)ethyl]-1-pyrrolidinyl]-2-oxoethyl]-2-oxo-3-azepanyl]amino]butanoic acid
- 4-[[(3s)-1-[2-[(2s)-2-[2-(6-carbamimidoyl-1-ethyl-indol-2-yl)ethyl]pyrrolidin-1-yl]-2-oxo-ethyl]-2-oxo-azepan-3-yl]amino]butanoic acid
- 4-[[(3s)-1-[2-[(2s)-2-[2-(6-carbamimidoyl-1-ethylindol-2-yl)ethyl]pyrrolidin-1-yl]-2-oxoethyl]-2-oxoazepan-3-yl]amino]butanoic acid
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InChIKey |
DTJAQQZJSTVZRK-UPVQGACJSA-N |
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Elements |
H
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