(5S,8S)-5-(2-Carboxyethyl)-11-{(3S)-3-Hydroxy-4-Oxo-4-[(2-Phenylethyl)Amino]Butanoyl}-8-Isopropyl-3,6,9-Trioxo-1-Phenyl-2-Oxa-4,7,10,11-Tetraazatridecan-13-Oic Acid

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Properties Simple | Detailed

Formula C32H41N5O11
IUPAC Name (4s)-4-(benzyloxycarbonylamino)-5-[[(1s)-1-[[carboxymethyl-[(3s)-3-hydroxy-4-oxo-4-(2-phenylethylamino)butanoyl]amino]carbamoyl]-2-methyl-propyl]amino]-5-oxo-pentanoic acid
Molecular Mass 671.695 g·mol−1
Heat of Formation -1865.8 ± 16.7 kJ·mol−1
Dipole Moment 4.17 ± 1.08 D
Volume 818.81 Å 3
Surface Area 666.24 Å 2
HOMO Energy -9.41 ± 0.55 eV
LUMO Energy -0.20 ± eV
Point Group Symmetry C1
InChIKey WAYWBQVKFMZBCU-QONNDPFASA-N
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