| Formula |
C30H35N5O6 |
| IUPAC Name |
2-[7-[2-[4-[(2s)-2-[[2-[(3r)-1-carbamimidoyl-3-piperidyl]acetyl]amino]-3-methoxy-3-oxo-propyl]phenyl]ethyl]-2h-indol-1-ium-2-ylium-3-yl]-2-oxo-acetic acid |
| Molecular Mass |
561.629 g·mol−1 |
| Heat of Formation |
-819.4 ± 16.7 kJ·mol−1 |
| Dipole Moment |
11.90 ± 1.08 D |
| Volume |
681.93 Å 3 |
| Surface Area |
550.97 Å 2 |
| HOMO Energy |
-8.83 ± 0.55 eV |
| LUMO Energy |
-0.82 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- 2-[2-(1-carbamimidoyl-piperidin-3-yl)-acetylamino]-3-{4-[2-(3-oxalyl-1h-indol-7-yl)ethyl]-phenyl}-propionic acid methyl ester
- 2-[7-[2-[4-[(2s)-2-[2-[(3r)-1-carbamimidoylpiperidin-3-yl]ethanoylamino]-3-methoxy-3-oxo-propyl]phenyl]ethyl]-1h-indol-3-yl]-2-oxo-ethanoic acid
- 2-[7-[2-[4-[(2s)-2-[[2-[(3r)-1-amidino-3-piperidyl]acetyl]amino]-3-keto-3-methoxy-propyl]phenyl]ethyl]-1h-indol-3-yl]-2-keto-acetic acid
- 2-[7-[2-[4-[(2s)-2-[[2-[(3r)-1-carbamimidoyl-3-piperidinyl]-1-oxoethyl]amino]-3-methoxy-3-oxopropyl]phenyl]ethyl]-1h-indol-3-yl]-2-oxoacetic acid
- 2-[7-[2-[4-[(2s)-2-[[2-[(3r)-1-carbamimidoyl-3-piperidyl]acetyl]amino]-3-methoxy-3-oxo-propyl]phenyl]ethyl]-1h-indol-3-yl]-2-oxo-acetic acid
- 2-[7-[2-[4-[(2s)-2-[[2-[(3r)-1-carbamimidoylpiperidin-3-yl]acetyl]amino]-3-methoxy-3-oxopropyl]phenyl]ethyl]-1h-indol-3-yl]-2-oxoacetic acid
- cmm
|
| InChIKey |
YRVAENMKEUHMEX-YKSBVNFPSA-N |
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| Elements |
H
C
O
N
|
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