Ethyl (5S,8S,14S)-11-(3-Amino-3-Oxopropyl)-8-Benzyl-14-Hydroxy-5-Isobutyl-3,6,9,12-Tetraoxo-1-Phenyl-2-Oxa-4,7,10,11-Tetraazapentadecan-15-Oate

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Properties Simple | Detailed

Formula C32H43N5O9
IUPAC Name ethyl (2s)-4-[(3-amino-3-oxo-propyl)-[[(2s)-2-[[(2s)-2-(benzyloxycarbonylamino)-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]amino]-2-hydroxy-4-oxo-butanoate
Molecular Mass 641.712 g·mol−1
Heat of Formation -1524.6 ± 16.7 kJ·mol−1
Dipole Moment 2.82 ± 1.08 D
Volume 799.6 Å 3
Surface Area 642.63 Å 2
HOMO Energy -9.61 ± 0.55 eV
LUMO Energy 0.01 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-4-[(3-amino-3-keto-propyl)-[[(2s)-2-[[(2s)-2-(benzyloxycarbonylamino)-4-methyl-pentanoyl]amino]-3-phenyl-propanoyl]amino]amino]-2-hydroxy-4-keto-butyric acid ethyl ester
  • (2s)-4-[(3-amino-3-oxopropyl)-[[(2s)-2-[[(2s)-4-methyl-1-oxo-2-[[oxo-(phenylmethoxy)methyl]amino]pentyl]amino]-1-oxo-3-phenylpropyl]amino]amino]-2-hydroxy-4-oxobutanoic acid ethyl ester
  • (5s,8s,14r)-ethyl 11-(3-amino-3-oxopropyl)-8-benzyl-14-hydroxy-5-isobutyl-3,6,9,12-tetraoxo-1-phenyl-2-oxa-4,7,10,11-tetraazapentadecan-15-oate
  • ethyl (2s)-4-[(3-amino-3-oxo-propyl)-[[(2s)-2-[[(2s)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-3-phenyl-propanoyl]amino]amino]-2-hydroxy-4-oxo-butanoate
  • ethyl (2s)-4-[(3-amino-3-oxopropyl)-[[(2s)-2-[[(2s)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-3-phenylpropanoyl]amino]amino]-2-hydroxy-4-oxobutanoate
InChIKey IKHWYRGVVLWKMO-GSDHBNRESA-N
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