Des-Trp(1)-Asp(5)-Leu(12)-Minigastrin
[CAS# 101212-63-9]

Identification

• Name: Des-Trp(1)-Asp(5)-Leu(12)-Minigastrin
• Synonyms: Minigastrin, Des-Tryptophyl(1)-Aspartyl(5)-Leucine(12)-; 1-De-Trp-5-Asp-12-Leu-Minigastrin; Dtal-Minigastrin
• Molecular Formula: C₇₀H₉₁N₁₅O₂₆
• Molecular Weight: 1558.57
• CAS Registry Number: 101212-63-9
• SMILES: [C@@H](N)(C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)NCC(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N)CC1=CC=CC=C1)CC(=O)O)CC(C)C)CC2=C[NH]C3=C2C=CC=C3)CC4=CC=C(C=C4)O)CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)CC(=O)O)CC(C)C
• InChI: 1S/C70H91N15O26/c1-32(2)19-40(71)61(102)79-47(25-54(90)91)67(108)83-50(28-57(96)97)69(110)85-51(29-58(98)99)70(111)84-49(27-56(94)95)68(109)81-46(24-53(88)89)63(104)75-34(5)60(101)78-44(22-36-15-17-38(86)18-16-36)62(103)74-31-52(87)76-45(23-37-30-73-41-14-10-9-13-39(37)41)65(106)80-43(20-33(3)4)64(105)82-48(26-55(92)93)66(107)77-42(59(72)100)21-35-11-7-6-8-12-35/h6-18,30,32-34,40,42-51,73,86H,19-29,31,71H2,1-5H3,(H2,72,100)(H,74,103)(H,75,104)(H,76,87)(H,77,107)(H,78,101)(H,79,102)(H,80,106)(H,81,109)(H,82,105)(H,83,108)(H,84,111)(H,85,110)(H,88,89)(H,90,91)(H,92,93)(H,94,95)(H,96,97)(H,98,99)/t34-,40-,42-,43-,44-,45-,46-,47-,48-,49-,50-,51-/m0/s1
• InChIKey: ORZPRFPUQBDMNS-MEHQFLSCSA-N

Properties

• Density: 1.422g/cm³ (Cal.)
• Boiling point: 1999°C at 760 mmHg (Cal.)
• Flash point: 1162.7°C (Cal.)