(2S,5S,8S,11S,15E,20S)-20-Amino-2-(Carboxymethyl)-5,8-Diisobutyl-11,20-Dimethyl-3,6,9,21-Tetraoxo-1,4,7,10-Tetrazacyclohenicos-15-Ene-11-Carboxylic Acid
Properties
Property | Value |
---|---|
Formula | C30H51N5O8 |
IUPAC Name | (2s,5s,8s,11s,15e,20s)-20-amino-2-(carboxymethyl)-5,8-diisobutyl-11,20-dimethyl-3,6,9,21-tetraoxo-1,4,7,10-tetrazacyclohenicos-15-ene-11-carboxylic acid |
Molecular Mass | 609.755 g·mol−1 |
Heat of Formation | -1823.6 ± 16.7 kJ·mol−1 |
Dipole Moment | 3.33 ± 1.08 D |
Volume | 783.83 Å 3 |
Surface Area | 544.2 Å 2 |
HOMO Energy | -9.24 ± 0.55 eV |
LUMO Energy | 0.40 ± eV |
Point Group Symmetry | C1 |
InChIKey | LHANMAUMFDZWEI-WDKISMIESA-N |
QR Code | Generate QR Code |
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Elements | H C O N |