| Formula |
C29H35N7O5S |
| IUPAC Name |
(2s)-n-[(1s)-4-amino-1-(2-amino-2-thioxo-acetyl)butyl]-1-[(e,2r)-4-ethyl-2-(methylamino)hex-4-enoyl]pyrrolidine-2-carboxamide; ammonia; dihydrate |
| Molecular Mass |
593.697 g·mol−1 |
| Heat of Formation |
-617.8 ± 16.7 kJ·mol−1 |
| Dipole Moment |
4.73 ± 1.08 D |
| Volume |
699.88 Å 3 |
| Surface Area |
522.97 Å 2 |
| HOMO Energy |
-8.78 ± 0.55 eV |
| LUMO Energy |
1.37 ± eV |
| Point Group Symmetry |
C1
|
| Synonyms
|
- 2-[(2s)-5-(diaminomethylideneamino)-2-[[(2s)-1-[(2r)-2-methylamino-3-phenyl-propanoyl]pyrrolidin-2-yl]carbonylamino]pentanoyl]-1,3-benzothiazole-6-carboxylic acid
- 2-[(2s)-5-(diaminomethylideneamino)-2-[[(2s)-1-[(2r)-2-methylamino-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]pentanoyl]-1,3-benzothiazole-6-carboxylic acid
- 2-[(2s)-5-guanidino-2-[[(2s)-1-[(2r)-2-methylamino-3-phenyl-propanoyl]pyrrolidine-2-carbonyl]amino]pentanoyl]-1,3-benzothiazole-6-carboxylic acid
- 2-[(2s)-5-guanidino-2-[[[(2s)-1-[(2r)-2-methylamino-1-oxo-3-phenylpropyl]-2-pyrrolidinyl]-oxomethyl]amino]-1-oxopentyl]-1,3-benzothiazole-6-carboxylic acid
|
| InChIKey |
XNPQCHOSZVJBHP-BDTNDASRSA-N |
| QR Code |
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| Links |
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| DOI |
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| Downloads |
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|
| Elements |
H
S
C
O
N
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