(2S)-2-Amino-5-[[(2R)-3-[4-[(2S)-2-Amino-3-Hydroxy-3-Oxopropyl]Phenyl]Sulfanyl-1-(Carboxymethylamino)-1-Oxopropan-2-Yl]Amino]-5-Oxopentanoic Acid
[CAS# 109572-69-2]

Identification

• Name: (2S)-2-Amino-5-[[(2R)-3-[4-[(2S)-2-Amino-3-Hydroxy-3-Oxopropyl]Phenyl]Sulfanyl-1-(Carboxymethylamino)-1-Oxopropan-2-Yl]Amino]-5-Oxopentanoic Acid
• Synonyms: (2S)-2-Amino-5-[[(1R)-1-[[4-[(2S)-2-Amino-3-Hydroxy-3-Oxo-Propyl]Phenyl]Sulfanylmethyl]-2-(Carboxymethylamino)-2-Oxo-Ethyl]Amino]-5-Oxo-Pentanoic Acid; (2S)-2-Amino-5-[[(1R)-1-[[[4-[(2S)-2-Amino-3-Hydroxy-3-Oxopropyl]Phenyl]Thio]Methyl]-2-(Carboxymethylamino)-2-Oxoethyl]Amino]-5-Oxopentanoic Acid; (2S)-2-Amino-5-[[(1R)-1-[[[4-[(2S)-2-Amino-3-Hydroxy-3-Keto-Propyl]Phenyl]Thio]Methyl]-2-(Carboxymethylamino)-2-Keto-Ethyl]Amino]-5-Keto-Valeric Acid
• Molecular Formula: C₁₉H₂₆N₄O₈S
• Molecular Weight: 470.50
• CAS Registry Number: 109572-69-2
• SMILES: [C@H](CSC1=CC=C(C=C1)C[C@@H](C(O)=O)N)(C(NCC(O)=O)=O)NC(CC[C@@H](C(O)=O)N)=O
• InChI: 1S/C19H26N4O8S/c20-12(18(28)29)5-6-15(24)23-14(17(27)22-8-16(25)26)9-32-11-3-1-10(2-4-11)7-13(21)19(30)31/h1-4,12-14H,5-9,20-21H2,(H,22,27)(H,23,24)(H,25,26)(H,28,29)(H,30,31)/t12-,13-,14-/m0/s1
• InChIKey: NZMYKNZXHXPNTF-IHRRRGAJSA-N

Properties

• Density: 1.485g/cm³ (Cal.)
• Boiling point: 903.644°C at 760 mmHg (Cal.)
• Flash point: 500.306°C (Cal.)