(6S,7S)-7-({N-[(4-Ethyl-2,3-Dioxo-1-Piperazinyl)Carbonyl]-D-Allothreonyl}Amino)-7-Methoxy-3-{[(1-Methyl-1H-Tetrazol-5-Yl)Sulfanyl]Methyl}-8-Oxo-5-Thia-1-Azabicyclo[4.2.0]Oct-2-Ene-2-Carboxylic Acid
Properties
Property | Value |
---|---|
Formula | C22H29N9O9S2 |
IUPAC Name | (6r,7r)-7-[[(2s,3r)-2-[(4-ethyl-2,3-dioxo-piperazine-1-carbonyl)amino]-3-hydroxy-butanoyl]amino]-7-methoxy-3-[(1-methyl-3,4-diaza-1-azonia-2-azanidacyclopenta-3,5-dien-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
Molecular Mass | 627.651 g·mol−1 |
Heat of Formation | -1066.3 ± 16.7 kJ·mol−1 |
Dipole Moment | 12.23 ± 1.08 D |
Volume | 680.32 Å 3 |
Surface Area | 542.33 Å 2 |
HOMO Energy | -8.87 ± 0.55 eV |
LUMO Energy | 2.07 ± eV |
Point Group Symmetry | C1 |
InChIKey | SMSRCGPDNDCXFR-YJHXCBCNSA-N |
QR Code | Generate QR Code |
Links | PubChem ChemSpider |
DOI | |
Downloads | Get JSON data Get MOL2 data Get SVG Image |
Elements | H S C O N |