(2S,3R,4R,5S)-3,4-Dihydroxy-5-[[(2S)-3-(3H-Imidazol-4-Yl)-2-[(2-Naphthalen-1-Yloxyacetyl)Amino]Propanoyl]Amino]-7-Methyl-N-[(2S,3S)-3-Methyl-1-Oxo-1-(Pyridin-2-Ylmethylamino)Pentan-2-Yl]-2-(2-Methylpropyl)Octanamide
[CAS# 134623-15-7]

Identification

• Name: (2S,3R,4R,5S)-3,4-Dihydroxy-5-[[(2S)-3-(3H-Imidazol-4-Yl)-2-[(2-Naphthalen-1-Yloxyacetyl)Amino]Propanoyl]Amino]-7-Methyl-N-[(2S,3S)-3-Methyl-1-Oxo-1-(Pyridin-2-Ylmethylamino)Pentan-2-Yl]-2-(2-Methylpropyl)Octanamide
• Synonyms: (2S,3R,4R,5S)-3,4-Dihydroxy-5-[[(2S)-3-(3H-Imidazol-4-Yl)-2-[[2-(1-Naphthyloxy)Acetyl]Amino]Propanoyl]Amino]-2-Isobutyl-7-Methyl-N-[(1S,2S)-2-Methyl-1-(2-Pyridylmethylcarbamoyl)Butyl]Octanamide; (2S,3R,4R,5S)-3,4-Dihydroxy-5-[[(2S)-3-(3H-Imidazol-4-Yl)-2-[[2-(1-Naphthyloxy)-1-Oxoethyl]Amino]-1-Oxopropyl]Amino]-2-Isobutyl-7-Methyl-N-[(1S,2S)-2-Methyl-1-[Oxo-(2-Pyridylmethylamino)Methyl]Butyl]Octanamide; (2S,3R,4R,5S)-3,4-Dihydroxy-5-[[(2S)-3-(3H-Imidazol-4-Yl)-2-[[2-(1-Naphthyloxy)Acetyl]Amino]Propanoyl]Amino]-2-Isobutyl-7-Methyl-N-[(1S,2S)-2-Methyl-1-(2-Pyridylmethylcarbamoyl)Butyl]Caprylamide
• Molecular Formula: C₄₃H₅₉N₇O₇
• Molecular Weight: 785.98
• CAS Registry Number: 134623-15-7
• SMILES: [C@@H](C(N[C@H](C(NCC1=CC=CC=N1)=O)[C@H](CC)C)=O)([C@H]([C@@H]([C@@H](NC([C@@H](NC(=O)COC2=CC=CC3=CC=CC=C23)CC4=CN=C[NH]4)=O)CC(C)C)O)O)CC(C)C
• InChI: 1S/C43H59N7O7/c1-7-28(6)38(43(56)46-23-30-15-10-11-18-45-30)50-41(54)33(19-26(2)3)39(52)40(53)34(20-27(4)5)49-42(55)35(21-31-22-44-25-47-31)48-37(51)24-57-36-17-12-14-29-13-8-9-16-32(29)36/h8-18,22,25-28,33-35,38-40,52-53H,7,19-21,23-24H2,1-6H3,(H,44,47)(H,46,56)(H,48,51)(H,49,55)(H,50,54)/t28-,33-,34-,35-,38-,39+,40+/m0/s1
• InChIKey: VFXBGUYEVNSPLY-LETNQRCJSA-N

Properties

• Density: 1.205g/cm³ (Cal.)
• Boiling point: 1130.697°C at 760 mmHg (Cal.)
• Flash point: 637.623°C (Cal.)