Diallyl G
[CAS# 127808-81-5]

Identification

• Name: Diallyl G
• Synonyms: (2S)-2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-(Diallylamino)-3-(4-Hydroxyphenyl)Propanoyl]Amino]-4-Methyl-Pentanoyl]Amino]Acetyl]Amino]-3-(4-Hydroxyphenyl)Propanoyl]Amino]-4-Methyl-Pentanoic Acid; (2S)-2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-(Diallylamino)-3-(4-Hydroxyphenyl)-1-Oxopropyl]Amino]-4-Methyl-1-Oxopentyl]Amino]-1-Oxoethyl]Amino]-3-(4-Hydroxyphenyl)-1-Oxopropyl]Amino]-4-Methylpentanoic Acid; (2S)-2-[[(2S)-2-[[2-[[(2R)-2-[[(2S)-2-(Diallylamino)-3-(4-Hydroxyphenyl)Propanoyl]Amino]-4-Methyl-Pentanoyl]Amino]Acetyl]Amino]-3-(4-Hydroxyphenyl)Propanoyl]Amino]-4-Methyl-Valeric Acid
• Molecular Formula: C₃₈H₅₃N₅O₈
• Molecular Weight: 707.87
• CAS Registry Number: 127808-81-5
• SMILES: [C@@H](N(CC=C)CC=C)(C(=O)N[C@@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)O)CC(C)C)CC1=CC=C(O)C=C1)CC(C)C)CC2=CC=C(O)C=C2
• InChI: 1S/C38H53N5O8/c1-7-17-43(18-8-2)33(22-27-11-15-29(45)16-12-27)37(49)41-30(19-24(3)4)35(47)39-23-34(46)40-31(21-26-9-13-28(44)14-10-26)36(48)42-32(38(50)51)20-25(5)6/h7-16,24-25,30-33,44-45H,1-2,17-23H2,3-6H3,(H,39,47)(H,40,46)(H,41,49)(H,42,48)(H,50,51)/t30-,31+,32+,33+/m1/s1
• InChIKey: WPYLFYWRECLMCS-GJBCSVNNSA-N

Properties

• Density: 1.192g/cm³ (Cal.)
• Boiling point: 1029.297°C at 760 mmHg (Cal.)
• Flash point: 576.298°C (Cal.)