| Formula |
C21H32N6O4S |
| IUPAC Name |
2-[[(1r)-2-[(2s)-2-[(4-carbamimidoylthiazol-2-yl)methylcarbamoyl]pyrrolidin-1-yl]-1-(cyclohexylmethyl)-2-oxo-ethyl]amino]acetic acid |
| Molecular Mass |
464.582 g·mol−1 |
| Heat of Formation |
-599.1 ± 16.7 kJ·mol−1 |
| Dipole Moment |
5.11 ± 1.08 D |
| Volume |
556.21 Å 3 |
| Surface Area |
478.82 Å 2 |
| HOMO Energy |
-9.26 ± 0.55 eV |
| LUMO Energy |
-1.10 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- 2-[[(1r)-2-[(2s)-2-[(4-amidinothiazol-2-yl)methylcarbamoyl]pyrrolidin-1-yl]-1-(cyclohexylmethyl)-2-keto-ethyl]amino]acetic acid
- 2-[[(1r)-2-[(2s)-2-[(4-carbamimidoylthiazol-2-yl)methylcarbamoyl]pyrrolidin-1-yl]-1-(cyclohexylmethyl)-2-oxo-ethyl]amino]acetic acid
- 2-[[(1r)-2-[(2s)-2-[[(4-carbamimidoyl-2-thiazolyl)methylamino]-oxomethyl]-1-pyrrolidinyl]-1-(cyclohexylmethyl)-2-oxoethyl]amino]acetic acid
- 2-[[(2r)-1-[(2s)-2-[(4-carbamimidoyl-1,3-thiazol-2-yl)methylcarbamoyl]pyrrolidin-1-yl]-3-cyclohexyl-1-oxo-propan-2-yl]amino]ethanoic acid
- 2-[[(2r)-1-[(2s)-2-[(4-carbamimidoyl-1,3-thiazol-2-yl)methylcarbamoyl]pyrrolidin-1-yl]-3-cyclohexyl-1-oxopropan-2-yl]amino]acetic acid
- 34p
- n-(carboxymethyl)-3-cyclohexyl-d-alanyl-n-({4-[(e)-amino(imino)methyl]-1,3-thiazol-2-yl}methyl)-l-prolinamide
|
| InChIKey |
MIEXIWNUQBMNML-ZBFHGGJFSA-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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