| Formula |
C23H32N6O4 |
| IUPAC Name |
2-[[(1r)-2-[2-[(5-carbamimidoyl-1-methyl-pyrrol-3-yl)methylcarbamoyl]-3h-pyrrol-1-ium-3-id-1-yl]-1-(cyclohexylmethyl)-2-oxo-ethyl]amino]acetic acid |
| Molecular Mass |
456.538 g·mol−1 |
| Heat of Formation |
-492.0 ± 16.7 kJ·mol−1 |
| Dipole Moment |
4.68 ± 1.08 D |
| Volume |
562.43 Å 3 |
| Surface Area |
481.24 Å 2 |
| HOMO Energy |
-9.27 ± 0.55 eV |
| LUMO Energy |
-0.47 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- (2-{2-[(5-carbamimidoyl-1-methyl-1h-pyrrol-3-ylmethyl)-carbamoyl]-pyrrol-1-yl} -1-cyclohexylmethyl-2-oxo-ethylamino)-acetic acid
- 2-[[(1r)-2-[2-[(5-amidino-1-methyl-pyrrol-3-yl)methylcarbamoyl]pyrrol-1-yl]-1-(cyclohexylmethyl)-2-keto-ethyl]amino]acetic acid
- 2-[[(1r)-2-[2-[(5-carbamimidoyl-1-methyl-pyrrol-3-yl)methylcarbamoyl]pyrrol-1-yl]-1-(cyclohexylmethyl)-2-oxo-ethyl]amino]acetic acid
- 2-[[(1r)-2-[2-[[(5-carbamimidoyl-1-methyl-3-pyrrolyl)methylamino]-oxomethyl]-1-pyrrolyl]-1-(cyclohexylmethyl)-2-oxoethyl]amino]acetic acid
- 2-[[(2r)-1-[2-[(5-carbamimidoyl-1-methyl-pyrrol-3-yl)methylcarbamoyl]pyrrol-1-yl]-3-cyclohexyl-1-oxo-propan-2-yl]amino]ethanoic acid
- 2-[[(2r)-1-[2-[(5-carbamimidoyl-1-methylpyrrol-3-yl)methylcarbamoyl]pyrrol-1-yl]-3-cyclohexyl-1-oxopropan-2-yl]amino]acetic acid
|
| InChIKey |
NWTFRWIXCVUIDS-QGZVFWFLSA-N |
| QR Code |
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| Links |
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|
| DOI |
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| Downloads |
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|
| Elements |
H
C
O
N
|
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