Benzyl {(2S)-1-[2-({2-[(1S)-1-{[(Benzyloxy)Carbonyl]Amino}-3-Methylbutyl]-1,3-Thiazol-4-Yl}Carbonyl)Hydrazino]-4-Methyl-1-Oxo-2-Pentanyl}Carbamate

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Properties Simple | Detailed

Formula C31H39N5O6S
IUPAC Name benzyl n-[(1s)-1-[[[2-[(1s)-1-(benzyloxycarbonylamino)-3-methyl-butyl]thiazole-4-carbonyl]amino]carbamoyl]-3-methyl-butyl]carbamate
Molecular Mass 609.736 g·mol−1
Heat of Formation -786.6 ± 16.7 kJ·mol−1
Dipole Moment 5.08 ± 1.08 D
Volume 744.46 Å 3
Surface Area 649.87 Å 2
HOMO Energy -9.35 ± 0.55 eV
LUMO Energy 1.71 ± eV
Point Group Symmetry C1
Synonyms
  • in6
  • n-[(1s)-1-[4-[[[(2s)-2-(benzyloxycarbonylamino)-4-methyl-pentanoyl]amino]carbamoyl]thiazol-2-yl]-3-methyl-butyl]carbamic acid benzyl ester
  • n-[(1s)-3-methyl-1-[4-[[n'-[(2s)-4-methyl-1-oxo-2-[[oxo-(phenylmethoxy)methyl]amino]pentyl]hydrazino]-oxomethyl]-2-thiazolyl]butyl]carbamic acid phenylmethyl ester
  • n-[2-[1-(n-benzyloxycarbonylamino)-3-methylbutyl]thiazol-4-ylcarbonyl]-n'-(benzyloxycarbonyl-l-leucinyl)hydrazide
  • phenylmethyl n-[(1s)-3-methyl-1-[4-[[[(2s)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]carbamoyl]-1,3-thiazol-2-yl]butyl]carbamate
  • phenylmethyl n-[(1s)-3-methyl-1-[4-[[[(2s)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]carbamoyl]thiazol-2-yl]butyl]carbamate
InChIKey FNMSKYFYFLZDOO-DQEYMECFSA-N
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