(2S)-2-Amino-N-[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-Amino-4-Methylsulfanyl-1-Oxobutan-2-Yl]Amino]-4-Methyl-1-Oxopentan-2-Yl]Amino]-2-Oxoethyl]Amino]-1-Oxo-3-Phenylpropan-2-Yl]Amino]-1-Oxo-3-Phenylpropan-2-Yl]Pentanediamide
[CAS# 78081-72-8]

Identification

• Name: (2S)-2-Amino-N-[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-Amino-4-Methylsulfanyl-1-Oxobutan-2-Yl]Amino]-4-Methyl-1-Oxopentan-2-Yl]Amino]-2-Oxoethyl]Amino]-1-Oxo-3-Phenylpropan-2-Yl]Amino]-1-Oxo-3-Phenylpropan-2-Yl]Pentanediamide
• Synonyms: (2S)-2-Amino-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]Pentanediamide; (2S)-2-Amino-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]Pentanediamide; (2S)-2-Amino-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]Glutaramide
• Molecular Formula: C₃₆H₅₂N₈O₇S
• Molecular Weight: 740.92
• CAS Registry Number: 78081-72-8
• SMILES: [C@H](C(N[C@H](C(NCC(N[C@H](C(N[C@H](C(=O)N)CCSC)=O)CC(C)C)=O)=O)CC1=CC=CC=C1)=O)(NC(=O)[C@H](CCC(=O)N)N)CC2=CC=CC=C2
• InChI: 1S/C36H52N8O7S/c1-22(2)18-27(35(50)42-26(32(39)47)16-17-52-3)41-31(46)21-40-34(49)28(19-23-10-6-4-7-11-23)44-36(51)29(20-24-12-8-5-9-13-24)43-33(48)25(37)14-15-30(38)45/h4-13,22,25-29H,14-21,37H2,1-3H3,(H2,38,45)(H2,39,47)(H,40,49)(H,41,46)(H,42,50)(H,43,48)(H,44,51)/t25-,26-,27-,28-,29-/m0/s1
• InChIKey: JRJICHIAKDIPMB-ZIUUJSQJSA-N

Properties

• Density: 1.24g/cm³ (Cal.)
• Boiling point: 1198.894°C at 760 mmHg (Cal.)
• Flash point: 678.867°C (Cal.)