(2S)-2-Amino-5-[[(1R)-1-[[(2R)-2-[[(4S)-4-Amino-5-Hydroxy-5-Oxo-Pentanoyl]Amino]-3-(2-Naphthylamino)-3-Oxo-Propyl]Disulfanylmethyl]-2-(2-Naphthylamino)-2-Oxo-Ethyl]Amino]-5-Oxo-Pentanoic Acid
[CAS# 165174-63-0]

Identification

• Name: (2S)-2-Amino-5-[[(1R)-1-[[(2R)-2-[[(4S)-4-Amino-5-Hydroxy-5-Oxo-Pentanoyl]Amino]-3-(2-Naphthylamino)-3-Oxo-Propyl]Disulfanylmethyl]-2-(2-Naphthylamino)-2-Oxo-Ethyl]Amino]-5-Oxo-Pentanoic Acid
• Molecular Formula: C₃₆H₄₀N₆O₈S₂
• Molecular Weight: 748.87
• CAS Registry Number: 165174-63-0
• SMILES: c1ccc2cc(ccc2c1)NC(=O)C(CSSCC(C(=O)Nc3ccc4ccccc4c3)NC(=O)CCC(C(=O)O)N)NC(=O)CCC(C(=O)O)N
• InChI: 1S/C36H40N6O8S2/c37-27(35(47)48)13-15-31(43)41-29(33(45)39-25-11-9-21-5-1-3-7-23(21)17-25)19-51-52-20-30(42-32(44)16-14-28(38)36(49)50)34(46)40-26-12-10-22-6-2-4-8-24(22)18-26/h1-12,17-18,27-30H,13-16,19-20,37-38H2,(H,39,45)(H,40,46)(H,41,43)(H,42,44)(H,47,48)(H,49,50)/t27-,28-,29-,30-/m0/s1
• InChIKey: DZBNLMYXPGRVSQ-KRCBVYEFSA-N

Properties

• Density: 1.438g/cm³ (Cal.)
• Boiling point: 1179.864°C at 760 mmHg (Cal.)
• Flash point: 667.358°C (Cal.)
• Refractive index: 1.71 (Cal.)