Formula |
C34H39N7O8S |
IUPAC Name |
3-[[3-[(2r)-3-[[(1s)-4-amino-1-[(4-carbamimidoylphenyl)methylcarbamoyl]-4-oxo-butyl]amino]-2-(ethylsulfonylamino)-3-oxo-propyl]-7h-indol-1-ium-7-id-5-yl]oxymethyl]benzoic acid |
Molecular Mass |
705.781 g·mol−1 |
Heat of Formation |
-1080.8 ± 16.7 kJ·mol−1 |
Dipole Moment |
7.04 ± 1.08 D |
Volume |
825.48 Å 3 |
Surface Area |
691.4 Å 2 |
HOMO Energy |
-8.62 ± 0.55 eV |
LUMO Energy |
-0.75 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- 3-[[3-[(2r)-3-[[(1s)-1-[(4-amidinobenzyl)carbamoyl]-4-amino-4-keto-butyl]amino]-2-(ethylsulfonylamino)-3-keto-propyl]-1h-indol-5-yl]oxymethyl]benzoic acid
- 3-[[3-[(2r)-3-[[(1s)-4-amino-1-[(4-carbamimidoylphenyl)methylcarbamoyl]-4-oxo-butyl]amino]-2-(ethylsulfonylamino)-3-oxo-propyl]-1h-indol-5-yl]oxymethyl]benzoic acid
- 3-[[3-[(2r)-3-[[(1s)-4-amino-1-[[(4-carbamimidoylphenyl)methylamino]-oxomethyl]-4-oxobutyl]amino]-2-(ethylsulfonylamino)-3-oxopropyl]-1h-indol-5-yl]oxymethyl]benzoic acid
- 3-[[3-[(2r)-3-[[(2s)-5-amino-1-[(4-carbamimidoylphenyl)methylamino]-1,5-dioxo-pentan-2-yl]amino]-2-(ethylsulfonylamino)-3-oxo-propyl]-1h-indol-5-yl]oxymethyl]benzoic acid
- 3-[[3-[(2r)-3-[[(2s)-5-amino-1-[(4-carbamimidoylphenyl)methylamino]-1,5-dioxopentan-2-yl]amino]-2-(ethylsulfonylamino)-3-oxopropyl]-1h-indol-5-yl]oxymethyl]benzoic acid
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InChIKey |
UDNWHSWDIIAZDA-URLMMPGGSA-N |
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