(2S)-2-[[(2S)-2-Aminopropanoyl]Amino]-N-[(2S)-1-[[(2S)-1-[[(2S)-1,3-Dioxo-1-[[2-Oxo-2-[(2S)-2-[[(2S)-1-Oxo-3-Phenylpropan-2-Yl]Carbamoyl]Pyrrolidin-1-Yl]Ethyl]Amino]Propan-2-Yl]Amino]-3-Methyl-1-Oxobutan-2-Yl]Amino]-1-Oxopropan-2-Yl]Butanediamide
[CAS# 107729-99-7]

Identification

• Name: (2S)-2-[[(2S)-2-Aminopropanoyl]Amino]-N-[(2S)-1-[[(2S)-1-[[(2S)-1,3-Dioxo-1-[[2-Oxo-2-[(2S)-2-[[(2S)-1-Oxo-3-Phenylpropan-2-Yl]Carbamoyl]Pyrrolidin-1-Yl]Ethyl]Amino]Propan-2-Yl]Amino]-3-Methyl-1-Oxobutan-2-Yl]Amino]-1-Oxopropan-2-Yl]Butanediamide
• Synonyms: (2S)-2-[[(2S)-2-Aminopropanoyl]Amino]-N-[(1S)-2-[[(1S)-1-[[(1S)-1-Formyl-2-[[2-[(2S)-2-[[(1S)-1-Formyl-2-Phenyl-Ethyl]Carbamoyl]Pyrrolidin-1-Yl]-2-Oxo-Ethyl]Amino]-2-Oxo-Ethyl]Carbamoyl]-2-Methyl-Propyl]Amino]-1-Methyl-2-Oxo-Ethyl]Butanediamide; (2S)-2-[[(2S)-2-Amino-1-Oxopropyl]Amino]-N-[(1S)-2-[[(1S)-1-[[[(1S)-1-Formyl-2-[[2-[(2S)-2-[[[(1S)-1-Formyl-2-Phenylethyl]Amino]-Oxomethyl]-1-Pyrrolidinyl]-2-Oxoethyl]Amino]-2-Oxoethyl]Amino]-Oxomethyl]-2-Methylpropyl]Amino]-1-Methyl-2-Oxoethyl]Butanediamide; (2S)-2-(Alanylamino)-N-[(1S)-2-[[(1S)-1-[[(1S)-2-[[2-[(2S)-2-[[(1S)-1-(Benzyl)-2-Keto-Ethyl]Carbamoyl]Pyrrolidin-1-Yl]-2-Keto-Ethyl]Amino]-1-Formyl-2-Keto-Ethyl]Carbamoyl]-2-Methyl-Propyl]Amino]-2-Keto-1-Methyl-Ethyl]Succinamide
• Molecular Formula: C₃₄H₄₉N₉O₁₀
• Molecular Weight: 743.82
• CAS Registry Number: 107729-99-7
• SMILES: [C@H](C=O)(NC([C@H]1N(CCC1)C(CNC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](N)C)=O)CC(=O)N)=O)C)=O)C(C)C)=O)C=O)=O)=O)=O)CC2=CC=CC=C2
• InChI: 1S/C34H49N9O10/c1-18(2)28(42-30(49)20(4)38-32(51)23(14-26(36)46)40-29(48)19(3)35)34(53)41-24(17-45)31(50)37-15-27(47)43-12-8-11-25(43)33(52)39-22(16-44)13-21-9-6-5-7-10-21/h5-7,9-10,16-20,22-25,28H,8,11-15,35H2,1-4H3,(H2,36,46)(H,37,50)(H,38,51)(H,39,52)(H,40,48)(H,41,53)(H,42,49)/t19-,20-,22-,23-,24-,25-,28-/m0/s1
• InChIKey: IAIHCBKGAQMMFY-BXYHPFQCSA-N

Properties

• Density: 1.297g/cm³ (Cal.)
• Boiling point: 1207.382°C at 760 mmHg (Cal.)
• Flash point: 684°C (Cal.)