(4S)-4-Amino-5-[[(2R)-3-[2,5-Bis(Dimethylamino)Phenyl]Sulfanyl-1-(Carboxymethylamino)-1-Oxopropan-2-Yl]Amino]-5-Oxopentanoic Acid
[CAS# 135909-56-7]

Identification

• Name: (4S)-4-Amino-5-[[(2R)-3-[2,5-Bis(Dimethylamino)Phenyl]Sulfanyl-1-(Carboxymethylamino)-1-Oxopropan-2-Yl]Amino]-5-Oxopentanoic Acid
• Synonyms: (4S)-4-Amino-5-[[(1R)-1-[[2,5-Bis(Dimethylamino)Phenyl]Sulfanylmethyl]-2-(Carboxymethylamino)-2-Oxo-Ethyl]Amino]-5-Oxo-Pentanoic Acid; (4S)-4-Amino-5-[[(1R)-1-[[[2,5-Bis(Dimethylamino)Phenyl]Thio]Methyl]-2-(Carboxymethylamino)-2-Oxoethyl]Amino]-5-Oxopentanoic Acid; (4S)-4-Amino-5-[[(1R)-1-[[[2,5-Bis(Dimethylamino)Phenyl]Thio]Methyl]-2-(Carboxymethylamino)-2-Keto-Ethyl]Amino]-5-Keto-Valeric Acid
• Molecular Formula: C₂₀H₃₁N₅O₆S
• Molecular Weight: 469.55
• CAS Registry Number: 135909-56-7
• SMILES: [C@H](C(NCC(=O)O)=O)(NC([C@@H](N)CCC(=O)O)=O)CSC1=CC(=CC=C1N(C)C)N(C)C
• InChI: 1S/C20H31N5O6S/c1-24(2)12-5-7-15(25(3)4)16(9-12)32-11-14(20(31)22-10-18(28)29)23-19(30)13(21)6-8-17(26)27/h5,7,9,13-14H,6,8,10-11,21H2,1-4H3,(H,22,31)(H,23,30)(H,26,27)(H,28,29)/t13-,14-/m0/s1
• InChIKey: FXNNYCXNNOWOBK-KBPBESRZSA-N

Properties

• Density: 1.353g/cm³ (Cal.)
• Boiling point: 832.102°C at 760 mmHg (Cal.)
• Flash point: 457.039°C (Cal.)