Formula |
C25H34N6O5S |
IUPAC Name |
(3s)-1-carbamimidoyl-n-[[(2s)-1-[(2s)-3-hydroxy-2-(2-naphthylsulfonylamino)propanoyl]pyrrolidin-2-yl]methyl]piperidine-3-carboxamide |
Molecular Mass |
530.640 g·mol−1 |
Heat of Formation |
-717.0 ± 16.7 kJ·mol−1 |
Dipole Moment |
7.37 ± 1.08 D |
Volume |
627.41 Å 3 |
Surface Area |
444.1 Å 2 |
HOMO Energy |
-9.15 ± 0.55 eV |
LUMO Energy |
-1.23 ± eV |
Point Group Symmetry |
C1
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Synonyms
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- (3s)-1-amidino-n-[[(2s)-1-[(2s)-3-hydroxy-2-(2-naphthylsulfonylamino)propanoyl]pyrrolidin-2-yl]methyl]nipecotamide
- (3s)-1-carbamimidoyl-n-[[(2s)-1-[(2s)-3-hydroxy-2-(2-naphthylsulfonylamino)-1-oxopropyl]-2-pyrrolidinyl]methyl]-3-piperidinecarboxamide
- (3s)-1-carbamimidoyl-n-[[(2s)-1-[(2s)-3-hydroxy-2-(2-naphthylsulfonylamino)propanoyl]pyrrolidin-2-yl]methyl]piperidine-3-carboxamide
- [s-(r*,r*)]-1-(aminoiminomethyl)-n-[[1-[n-[(2-naphthalenylsulfonyl)-l-seryl]-3-pyrrolidinyl]methyl]-3-piperidenecarboxamide
- bm9
- bms-189090
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InChIKey |
JWNJPEKBZMEXIU-ONTIZHBOSA-N |
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Links |
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Elements |
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