| Formula |
C23H32N6O4 |
| IUPAC Name |
2-[[(1r)-2-[2-[(5-carbamimidoyl-1-methyl-pyrrol-2-yl)methylcarbamoyl]pyrrol-1-yl]-1-(cyclohexylmethyl)-2-oxo-ethyl]amino]acetic acid |
| Molecular Mass |
456.538 g·mol−1 |
| Heat of Formation |
-499.2 ± 16.7 kJ·mol−1 |
| Dipole Moment |
3.33 ± 1.08 D |
| Volume |
559.13 Å 3 |
| Surface Area |
472.93 Å 2 |
| HOMO Energy |
-9.00 ± 0.55 eV |
| LUMO Energy |
2.30 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- (2-{2-[(5-carbamimidoyl-1-methyl-1h-pyrrol-2-ylmethyl)-carbamoyl]-pyrrol-1-yl}- 1-cyclohexylmethyl-2-oxo-ethylamino)-acetic acid
- 2-[[(1r)-2-[2-[(5-amidino-1-methyl-pyrrol-2-yl)methylcarbamoyl]pyrrol-1-yl]-1-(cyclohexylmethyl)-2-keto-ethyl]amino]acetic acid
- 2-[[(1r)-2-[2-[(5-carbamimidoyl-1-methyl-pyrrol-2-yl)methylcarbamoyl]pyrrol-1-yl]-1-(cyclohexylmethyl)-2-oxo-ethyl]amino]acetic acid
- 2-[[(1r)-2-[2-[[(5-carbamimidoyl-1-methyl-2-pyrrolyl)methylamino]-oxomethyl]-1-pyrrolyl]-1-(cyclohexylmethyl)-2-oxoethyl]amino]acetic acid
- 2-[[(2r)-1-[2-[(5-carbamimidoyl-1-methyl-pyrrol-2-yl)methylcarbamoyl]pyrrol-1-yl]-3-cyclohexyl-1-oxo-propan-2-yl]amino]ethanoic acid
- 2-[[(2r)-1-[2-[(5-carbamimidoyl-1-methylpyrrol-2-yl)methylcarbamoyl]pyrrol-1-yl]-3-cyclohexyl-1-oxopropan-2-yl]amino]acetic acid
|
| InChIKey |
AXMHAIYMRMPDQD-QGZVFWFLSA-N |
| QR Code |
Generate QR Code |
| Links |
PubChem
ChemSpider
|
| DOI |
|
| Downloads |
Get JSON data
Get MOL2 data
Get SVG Image
|
| Elements |
H
C
O
N
|
| |
|
