Formula |
C20H29N5O4 |
IUPAC Name |
methyl 4-[[(2r,5s)-5-[(2s)-2-(aminomethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-yl]methylcarbamoylamino]benzoate |
Molecular Mass |
403.475 g·mol−1 |
Heat of Formation |
-638.8 ± 16.7 kJ·mol−1 |
Dipole Moment |
10.27 ± 1.08 D |
Volume |
485.45 Å 3 |
Surface Area |
421.21 Å 2 |
HOMO Energy |
-8.69 ± 0.55 eV |
LUMO Energy |
-0.19 ± eV |
Point Group Symmetry |
C1
|
Synonyms
|
- 4-[[(2r,5s)-5-[(2s)-2-(aminomethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-yl]methylcarbamoylamino]benzoic acid methyl ester
- 4-[[[[(2r,5s)-5-[[(2s)-2-(aminomethyl)-1-pyrrolidinyl]-oxomethyl]-2-pyrrolidinyl]methylamino]-oxomethyl]amino]benzoic acid methyl ester
- methyl 4-[[(2r,5s)-5-[(2s)-2-(aminomethyl)pyrrolidin-1-yl]carbonylpyrrolidin-2-yl]methylcarbamoylamino]benzoate
- methyl 4-[[(2r,5s)-5-[(2s)-2-(aminomethyl)pyrrolidine-1-carbonyl]pyrrolidin-2-yl]methylcarbamoylamino]benzoate
- methyl 4-{[({[(2r,5s)-5-{[(2s)-2-(aminomethyl)pyrrolidin-1-yl]carbonyl}pyrrolidin-2-yl]methyl}amino)carbonyl]amino}benzoate
|
InChIKey |
USDCNOQKDUFKRD-IKGGRYGDSA-N |
QR Code |
Generate QR Code |
Links |
PubChem
ChemSpider
|
DOI |
|
Downloads |
Get JSON data
Get MOL2 data
Get SVG Image
|
Elements |
H
C
O
N
|
|
|