(5S,7E,9E,11Z,14Z,17Z)-6-[(2R)-2-Amino-3-[[(4S)-4-Amino-5-Hydroxy-5-Oxopentanoyl]-(Carboxymethyl)Amino]-3-Oxopropyl]Sulfanyl-5-Hydroxyicosa-7,9,11,14,17-Pentaenoic Acid
[CAS# 75207-09-9]

Identification

• Name: (5S,7E,9E,11Z,14Z,17Z)-6-[(2R)-2-Amino-3-[[(4S)-4-Amino-5-Hydroxy-5-Oxopentanoyl]-(Carboxymethyl)Amino]-3-Oxopropyl]Sulfanyl-5-Hydroxyicosa-7,9,11,14,17-Pentaenoic Acid
• Synonyms: (5S,7E,9E,11Z,14Z,17Z)-6-[(2R)-2-Amino-3-[[(4S)-4-Amino-5-Hydroxy-5-Oxo-Pentanoyl]-(Carboxymethyl)Amino]-3-Oxo-Propyl]Sulfanyl-5-Hydroxy-Icosa-7,9,11,14,17-Pentaenoic Acid; (5S,7E,9E,11Z,14Z,17Z)-6-[[(2R)-2-Amino-3-[[(4S)-4-Amino-5-Hydroxy-1,5-Dioxopentyl]-(Carboxymethyl)Amino]-3-Oxopropyl]Thio]-5-Hydroxyicosa-7,9,11,14,17-Pentaenoic Acid; (5S,7E,9E,11Z,14Z,17Z)-6-[[(2R)-2-Amino-3-[[(4S)-4-Amino-5-Hydroxy-5-Keto-Pentanoyl]-(Carboxymethyl)Amino]-3-Keto-Propyl]Thio]-5-Hydroxy-Icosa-7,9,11,14,17-Pentaenoic Acid
• Molecular Formula: C₃₀H₄₅N₃O₉S
• Molecular Weight: 623.76
• CAS Registry Number: 75207-09-9
• SMILES: [C@H](C(N(CC(=O)O)C(CC[C@@H](C(=O)O)N)=O)=O)(N)CSC(\C=C\C=C\C=C/C/C=C\C\C=C/CC)[C@H](CCCC(=O)O)O
• InChI: 1S/C30H45N3O9S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-25(24(34)15-14-17-27(36)37)43-21-23(32)29(40)33(20-28(38)39)26(35)19-18-22(31)30(41)42/h3-4,6-7,9-13,16,22-25,34H,2,5,8,14-15,17-21,31-32H2,1H3,(H,36,37)(H,38,39)(H,41,42)/b4-3-,7-6-,10-9-,12-11+,16-13+/t22-,23-,24-,25?/m0/s1
• InChIKey: DYFVTVOONQKMNM-XWCRBLDASA-N

Properties

• Density: 1.254g/cm³ (Cal.)
• Boiling point: 893.382°C at 760 mmHg (Cal.)
• Flash point: 494.1°C (Cal.)