(2S)-2-[[(2S)-1-[(2S)-6-Amino-2-[[(2S,3R)-3-Hydroxy-2-[[(2S)-3-Methyl-2-[[(2S)-Pyrrolidine-2-Carbonyl]Amino]Butanoyl]Amino]Butanoyl]Amino]Hexanoyl]Pyrrolidine-2-Carbonyl]Amino]-N-[(2R)-1-Amino-1-Oxopropan-2-Yl]Pentanediamide
[CAS# 157476-77-2]

Identification

• Name: (2S)-2-[[(2S)-1-[(2S)-6-Amino-2-[[(2S,3R)-3-Hydroxy-2-[[(2S)-3-Methyl-2-[[(2S)-Pyrrolidine-2-Carbonyl]Amino]Butanoyl]Amino]Butanoyl]Amino]Hexanoyl]Pyrrolidine-2-Carbonyl]Amino]-N-[(2R)-1-Amino-1-Oxopropan-2-Yl]Pentanediamide
• Synonyms: (2S)-2-[[(2S)-1-[(2S)-6-Amino-2-[[(2S,3R)-3-Hydroxy-2-[[(2S)-3-Methyl-2-[[(2S)-Pyrrolidine-2-Carbonyl]Amino]Butanoyl]Amino]Butanoyl]Amino]Hexanoyl]Pyrrolidine-2-Carbonyl]Amino]-N-[(1R)-2-Amino-1-Methyl-2-Oxo-Ethyl]Pentanediamide; (2S)-2-[[[(2S)-1-[(2S)-6-Amino-2-[[(2S,3R)-3-Hydroxy-2-[[(2S)-3-Methyl-1-Oxo-2-[[Oxo-[(2S)-2-Pyrrolidinyl]Methyl]Amino]Butyl]Amino]-1-Oxobutyl]Amino]-1-Oxohexyl]-2-Pyrrolidinyl]-Oxomethyl]Amino]-N-[(1R)-2-Amino-1-Methyl-2-Oxoethyl]Pentanediamide; (2S)-2-[[(2S)-1-[(2S)-6-Amino-2-[[(2S,3R)-3-Hydroxy-2-[[(2S)-3-Methyl-2-(Prolylamino)Butanoyl]Amino]Butanoyl]Amino]Hexanoyl]Pyrrolidine-2-Carbonyl]Amino]-N-[(1R)-2-Amino-2-Keto-1-Methyl-Ethyl]Glutaramide
• Molecular Formula: C₃₃H₅₈N₁₀O₉
• Molecular Weight: 738.88
• CAS Registry Number: 157476-77-2
• SMILES: [C@@H](NC(=O)[C@@H](NC(=O)[C@H]1NCCC1)C(C)C)(C(=O)N[C@H](C(=O)N2[C@H](C(=O)N[C@H](C(=O)N[C@@H](C(=O)N)C)CCC(=O)N)CCC2)CCCCN)[C@H](O)C
• InChI: 1S/C33H58N10O9/c1-17(2)25(41-28(47)20-10-7-15-37-20)31(50)42-26(19(4)44)32(51)40-22(9-5-6-14-34)33(52)43-16-8-11-23(43)30(49)39-21(12-13-24(35)45)29(48)38-18(3)27(36)46/h17-23,25-26,37,44H,5-16,34H2,1-4H3,(H2,35,45)(H2,36,46)(H,38,48)(H,39,49)(H,40,51)(H,41,47)(H,42,50)/t18-,19-,20+,21+,22+,23+,25+,26+/m1/s1
• InChIKey: WNDMGDURKQLJNM-DHCXFDNTSA-N

Properties

• Density: 1.265g/cm³ (Cal.)
• Boiling point: 1235.001°C at 760 mmHg (Cal.)
• Flash point: 700.703°C (Cal.)