N-[(2S,3R)-4-{[2-(1-Benzyl-4-Piperidinyl)Ethyl]Amino}-3-Hydroxy-1-Phenyl-2-Butanyl]-5-[Methyl(Methylsulfonyl)Amino]-N'-[(1R)-1-Phenylethyl]Isophthalamide

Molecule SVG Image

Properties Simple | Detailed

Formula C42H53N5O5S
IUPAC Name n3-[1-benzyl-3-[2-(1-benzyl-4-piperidyl)ethylamino]-2-hydroxy-propyl]-5-[methyl(methylsulfonyl)amino]-n1-(1-phenylethyl)benzene-1,3-dicarboxamide
Molecular Mass 739.966 g·mol−1
Heat of Formation -604.3 ± 16.7 kJ·mol−1
Dipole Moment 6.71 ± 1.08 D
Volume 916.07 Å 3
Surface Area 746.9 Å 2
HOMO Energy -8.96 ± 0.55 eV
LUMO Energy -0.85 ± eV
Point Group Symmetry C1
InChIKey IMNAYTZSJCRZIO-RLRCJDGOSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C S O N