N-{(1S,2S)-2-[Bis(Carboxymethyl)Amino]Cyclohexyl}-N-{(2R)-2-[Bis(Carboxymethyl)Amino]-3-[4-({[1,3-Dihydroxy-2-(Hydroxymethyl)-2-Propanyl]Carbamothioyl}Amino)Phenyl]Propyl}Glycine
Properties
| Property | Value |
|---|---|
| Formula | C30H45N5O13S |
| IUPAC Name | 2-[[(1s,2s)-2-[bis(carboxymethyl)amino]cyclohexyl]-[(2r)-2-[bis(carboxymethyl)amino]-3-[4-[[2-hydroxy-1,1-bis(hydroxymethyl)ethyl]carbamothioylamino]phenyl]propyl]amino]acetic acid |
| Molecular Mass | 715.769 g·mol−1 |
| Heat of Formation | -2329.1 ± 16.7 kJ·mol−1 |
| Dipole Moment | 13.07 ± 1.08 D |
| Volume | 807.64 Å 3 |
| Surface Area | 564.52 Å 2 |
| HOMO Energy | -8.40 ± 0.55 eV |
| LUMO Energy | -0.26 ± eV |
| Point Group Symmetry | C1 |
| InChIKey | ZDJITWBUQUCYMP-VJBWXMMDSA-N |
| QR Code | Generate QR Code |
| Links | PubChem ChemSpider |
| DOI | |
| Downloads | Get JSON data Get MOL2 data Get SVG Image |
| Elements | H C S O N |