N-[(2S,4S,5S)-5-Amino-4-Hydroxy-1,6-Diphenyl-2-Hexanyl]-N~2~-{[(2-Isopropyl-1,3-Thiazol-4-Yl)Methyl](Methyl)Carbamoyl}-L-Valinamide

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Properties Simple | Detailed

Formula C32H45N5O3S
IUPAC Name (2s)-n-[(1s,3s,4s)-4-amino-1-benzyl-3-hydroxy-5-phenyl-pentyl]-3-methyl-2-[[methyl-[[2-(1-methylethyl)thiazol-4-yl]methyl]carbamoyl]amino]butanamide
Molecular Mass 579.796 g·mol−1
Heat of Formation -476.2 ± 16.7 kJ·mol−1
Dipole Moment 4.18 ± 1.08 D
Volume 747.91 Å 3
Surface Area 557.38 Å 2
HOMO Energy -9.19 ± 0.55 eV
LUMO Energy -1.08 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-n-[(1s,3s,4s)-4-amino-1-(benzyl)-3-hydroxy-5-phenyl-pentyl]-2-[[(2-isopropylthiazol-4-yl)methyl-methyl-carbamoyl]amino]-3-methyl-butyramide
  • (2s)-n-[(1s,3s,4s)-4-amino-3-hydroxy-5-phenyl-1-(phenylmethyl)pentyl]-2-[[(2-isopropylthiazol-4-yl)methyl-methyl-carbamoyl]amino]-3-methyl-butanamide
  • (2s)-n-[(1s,3s,4s)-4-amino-3-hydroxy-5-phenyl-1-(phenylmethyl)pentyl]-2-[[[(2-isopropyl-4-thiazolyl)methyl-methylamino]-oxomethyl]amino]-3-methylbutanamide
  • (2s)-n-[(2s,4s,5s)-5-amino-4-hydroxy-1,6-di(phenyl)hexan-2-yl]-3-methyl-2-[[methyl-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamoyl]amino]butanamide
InChIKey IQKWCORIMSRQGZ-AMEOFWRWSA-N
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