| Formula |
C22H33N5O4S |
| IUPAC Name |
2-[[(1r)-2-[(2s)-2-[(5-carbamimidoyl-2-thienyl)methylcarbamoyl]pyrrolidin-1-yl]-1-(cyclohexylmethyl)-2-oxo-ethyl]amino]acetic acid |
| Molecular Mass |
463.594 g·mol−1 |
| Heat of Formation |
-676.5 ± 16.7 kJ·mol−1 |
| Dipole Moment |
7.65 ± 1.08 D |
| Volume |
559.8 Å 3 |
| Surface Area |
474.87 Å 2 |
| HOMO Energy |
-8.94 ± 0.55 eV |
| LUMO Energy |
-0.47 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- 2-[[(1r)-2-[(2s)-2-[(5-amidino-2-thienyl)methylcarbamoyl]pyrrolidin-1-yl]-1-(cyclohexylmethyl)-2-keto-ethyl]amino]acetic acid
- 2-[[(1r)-2-[(2s)-2-[(5-carbamimidoyl-2-thienyl)methylcarbamoyl]pyrrolidin-1-yl]-1-(cyclohexylmethyl)-2-oxo-ethyl]amino]acetic acid
- 2-[[(1r)-2-[(2s)-2-[[(5-carbamimidoyl-2-thienyl)methylamino]-oxomethyl]-1-pyrrolidinyl]-1-(cyclohexylmethyl)-2-oxoethyl]amino]acetic acid
- 2-[[(2r)-1-[(2s)-2-[(5-carbamimidoylthiophen-2-yl)methylcarbamoyl]pyrrolidin-1-yl]-3-cyclohexyl-1-oxo-propan-2-yl]amino]ethanoic acid
- 2-[[(2r)-1-[(2s)-2-[(5-carbamimidoylthiophen-2-yl)methylcarbamoyl]pyrrolidin-1-yl]-3-cyclohexyl-1-oxopropan-2-yl]amino]acetic acid
- 3sp
- n-(carboxymethyl)-3-cyclohexyl-d-alanyl-n-({5-[(e)-amino(imino)methyl]thien-2-yl}methyl)-l-prolinamide
|
| InChIKey |
WWADFOUMUCMPEO-SJORKVTESA-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
S
O
N
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