N-[(3Z)-3-Amino-3-Iminopropyl]-2-{[(4-Formamido-1-Methyl-1H-Pyrrol-2-Yl)Carbonyl]Amino}-4-Methyl-1,3-Thiazole-5-Carboxamide

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Properties Simple | Detailed

Formula C15H19N7O3S
IUPAC Name n-(3-amino-3-imino-propyl)-2-[(4-formamido-1-methyl-pyrrol-1-ium-2-ylium-2-carbonyl)amino]-4-methyl-thiazole-5-carboxamide
Molecular Mass 377.421 g·mol−1
Heat of Formation -207.3 ± 16.7 kJ·mol−1
Dipole Moment 10.68 ± 1.08 D
Volume 428.81 Å 3
Surface Area 389.13 Å 2
HOMO Energy -8.91 ± 0.55 eV
LUMO Energy -1.10 ± eV
Point Group Symmetry C1
Synonyms
  • 5-thiazolecarboxamide, n-(3-amino-3-iminopropyl)-2-(((4-(formylamino)-1-methyl-1h-pyrrol-2-yl)carbonyl)amino)-4-methyl-
  • lexitropsin 1
  • n-(3-amino-3-imino-propyl)-2-[(4-formamido-1-methyl-pyrrol-2-yl)carbonylamino]-4-methyl-1,3-thiazole-5-carboxamide
  • n-(3-amino-3-imino-propyl)-2-[(4-formamido-1-methyl-pyrrole-2-carbonyl)amino]-4-methyl-thiazole-5-carboxamide
  • n-(3-amino-3-iminopropyl)-2-[[(4-formamido-1-methyl-2-pyrrolyl)-oxomethyl]amino]-4-methyl-5-thiazolecarboxamide
CAS Number(s)
  • 123725-00-8
InChIKey SOFFAUDFMKTGJD-UHFFFAOYSA-N
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