| Formula |
C27H37N7O6S |
| IUPAC Name |
3-[[(1r,2r)-1-[[(1s)-4-amino-1-[(4-carbamimidoylphenyl)methylcarbamoyl]-4-imino-butyl]carbamoyl]-2-methyl-butyl]sulfamoylmethyl]benzoic acid |
| Molecular Mass |
587.691 g·mol−1 |
| Heat of Formation |
-918.5 ± 16.7 kJ·mol−1 |
| Dipole Moment |
5.20 ± 1.08 D |
| Volume |
704.96 Å 3 |
| Surface Area |
570.13 Å 2 |
| HOMO Energy |
-9.33 ± 0.55 eV |
| LUMO Energy |
-1.15 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- 3-({1-[3-carbamimidoyl-1-(4-carbamimidoyl-benzylcarbamoyl)-propylcarbamoyl]-2-methyl-butylsulfamoyl}-methyl)-benzoic acid
- 3-[[(1r,2r)-1-[[(1s)-1-[(4-amidinobenzyl)carbamoyl]-4-amino-4-imino-butyl]carbamoyl]-2-methyl-butyl]sulfamoylmethyl]benzoic acid
- 3-[[(1r,2r)-1-[[(1s)-4-amino-1-[(4-carbamimidoylphenyl)methylcarbamoyl]-4-imino-butyl]carbamoyl]-2-methyl-butyl]sulfamoylmethyl]benzoic acid
- 3-[[(1r,2r)-1-[[[(1s)-4-amino-1-[[(4-carbamimidoylphenyl)methylamino]-oxomethyl]-4-iminobutyl]amino]-oxomethyl]-2-methylbutyl]sulfamoylmethyl]benzoic acid
- 3-[[(2r,3r)-1-[[(2s)-5-amino-1-[(4-carbamimidoylphenyl)methylamino]-5-imino-1-oxo-pentan-2-yl]amino]-3-methyl-1-oxo-pentan-2-yl]sulfamoylmethyl]benzoic acid
- 3-[[(2r,3r)-1-[[(2s)-5-amino-1-[(4-carbamimidoylphenyl)methylamino]-5-imino-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]sulfamoylmethyl]benzoic acid
- 3cb
- n-[(3-carboxybenzyl)sulfonyl]isoleucyl-n~1~-{4-[amino(imino)methyl]benzyl}-5-iminoornithinamide
|
| InChIKey |
UBGNMISWPGURDN-XORNHQRDSA-N |
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| Links |
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| DOI |
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| Downloads |
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|
| Elements |
H
C
S
O
N
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