N-beta-D-glucopyranosyl-L-glutaminyl-L-phenylalanyl-L-phenylalanylglycyl-L-leucyl-L-Methioninamide
[CAS# 128022-96-8]

Identification

• Name: N-beta-D-glucopyranosyl-L-glutaminyl-L-phenylalanyl-L-phenylalanylglycyl-L-leucyl-L-Methioninamide
• Synonyms: (2S)-N-[(1S)-2-[[(1S)-2-[[2-[[(1S)-1-[[(1S)-1-Carbamoyl-3-Methylsulfanyl-Propyl]Carbamoyl]-3-Methyl-Butyl]Amino]-2-Oxo-Ethyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]-2-[[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)Tetrahydropyran-2-Yl]Amino]Pentanediamide; (2S)-N-[(1S)-2-[[(1S)-2-[[2-[[(1S)-1-[[[(1S)-1-Carbamoyl-3-(Methylthio)Propyl]Amino]-Oxomethyl]-3-Methylbutyl]Amino]-2-Oxoethyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]Amino]-2-Oxo-1-(Phenylmethyl)Ethyl]-2-[[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(Hydroxymethyl)-2-Tetrahydropyranyl]Amino]Pentanediamide; (2S)-N-[(1S)-1-(Benzyl)-2-[[(1S)-1-(Benzyl)-2-[[2-[[(1S)-1-[[(1S)-1-Carbamoyl-3-(Methylthio)Propyl]Carbamoyl]-3-Methyl-Butyl]Amino]-2-Keto-Ethyl]Amino]-2-Keto-Ethyl]Amino]-2-Keto-Ethyl]-2-[[(2R,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-Methylol-Tetrahydropyran-2-Yl]Amino]Glutaramide
• Molecular Formula: C₄₂H₆₂N₈O₁₂S
• Molecular Weight: 903.06
• CAS Registry Number: 128022-96-8
• SMILES: [C@H](C(=O)N)(NC([C@@H](NC(CNC([C@@H](NC([C@@H](NC([C@@H](N[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@H](O1)CO)CCC(=O)N)=O)CC2=CC=CC=C2)=O)CC3=CC=CC=C3)=O)=O)CC(C)C)=O)CCSC
• InChI: 1S/C42H62N8O12S/c1-23(2)18-28(40(60)47-26(37(44)57)16-17-63-3)46-33(53)21-45-38(58)29(19-24-10-6-4-7-11-24)48-41(61)30(20-25-12-8-5-9-13-25)49-39(59)27(14-15-32(43)52)50-42-36(56)35(55)34(54)31(22-51)62-42/h4-13,23,26-31,34-36,42,50-51,54-56H,14-22H2,1-3H3,(H2,43,52)(H2,44,57)(H,45,58)(H,46,53)(H,47,60)(H,48,61)(H,49,59)/t26-,27-,28-,29-,30-,31+,34+,35-,36+,42+/m0/s1
• InChIKey: HCXXCIUBXFESSG-OMLRTXNISA-N

Properties

• Density: 1.369g/cm³ (Cal.)
• Boiling point: 1343.721°C at 760 mmHg (Cal.)
• Flash point: 766.455°C (Cal.)