Cyclo(Glu(O-Benzyl)-Sar-Gly-(N-N-Decyl)Gly)2
[CAS# 73243-34-2]

Identification

• Name: Cyclo(Glu(O-Benzyl)-Sar-Gly-(N-N-Decyl)Gly)2
• Synonyms: (E,4S)-4-Amino-6-[[(1S,3S)-3-[[2-(Decylamino)Acetyl]Amino]-1-Formyl-6-Hydroxy-1-[2-[(2-Methylaminoacetyl)Amino]Acetyl]-2,6-Dioxo-Hexyl]-[2-[(2-Methylaminoacetyl)Amino]Acetyl]Amino]-5-Oxo-6,7-Bis(Phenylmethyl)Pentadec-7-Enoic Acid; (E,4S)-4-Amino-6-[[(1S,3S)-3-[[2-(Decylamino)-1-Oxoethyl]Amino]-1-Formyl-6-Hydroxy-1-[2-[(2-Methylamino-1-Oxoethyl)Amino]-1-Oxoethyl]-2,6-Dioxohexyl]-[2-[(2-Methylamino-1-Oxoethyl)Amino]-1-Oxoethyl]Amino]-5-Oxo-6,7-Bis(Phenylmethyl)Pentadec-7-Enoic Acid; (E,4S)-4-Amino-6,7-Bis(Benzyl)-6-[[(1S,3S)-3-[[2-(Decylamino)Acetyl]Amino]-1-Formyl-6-Hydroxy-2,6-Diketo-1-[2-(Sarcosylamino)Acetyl]Hexyl]-[2-(Sarcosylamino)Acetyl]Amino]-5-Keto-Pentadec-7-Enoic Acid
• Molecular Formula: C₅₈H₈₈N₈O₁₂
• Molecular Weight: 1089.38
• CAS Registry Number: 73243-34-2
• SMILES: [C@](N(C(C(/CC1=CC=CC=C1)=C/CCCCCCC)(C(=O)[C@@H](N)CCC(=O)O)CC2=CC=CC=C2)C(=O)CNC(=O)CNC)(C(=O)[C@@H](NC(=O)CNCCCCCCCCCC)CCC(=O)O)(C(=O)CNC(=O)CNC)C=O
• InChI: 1S/C58H88N8O12/c1-5-7-9-11-13-14-16-24-34-62-40-51(71)65-47(31-33-54(75)76)56(78)58(42-67,48(68)37-63-49(69)38-60-3)66(52(72)41-64-50(70)39-61-4)57(36-44-27-21-18-22-28-44,55(77)46(59)30-32-53(73)74)45(29-23-15-12-10-8-6-2)35-43-25-19-17-20-26-43/h17-22,25-29,42,46-47,60-62H,5-16,23-24,30-41,59H2,1-4H3,(H,63,69)(H,64,70)(H,65,71)(H,73,74)(H,75,76)/b45-29+/t46-,47-,57?,58-/m0/s1
• InChIKey: KJXQBTDDPMJXHE-INXYGCQKSA-N

Properties

• Density: 1.167g/cm³ (Cal.)
• Boiling point: 1199.35°C at 760 mmHg (Cal.)
• Flash point: 679.143°C (Cal.)