N²-[5-(2-Oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoyl]lysylprolylglutaminylglutaminylphenylalanylphenylalanylglycylleucylmethioninamide
[CAS# 87468-57-3]

Identification

• Name: N²-[5-(2-Oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl)pentanoyl]lysylprolylglutaminylglutaminylphenylalanylphenylalanylglycylleucylmethioninamide
• Synonyms: 3-α-Biotinyl-lys-substance P (3-11); ABLSP
• Molecular Formula: C₆₂H₉₃N₁₅O₁₃S₂
• Molecular Weight: 1320.63
• CAS Registry Number: 87468-57-3
• SMILES: O=C(N)C(NC(=O)C(NC(=O)CNC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C3N(C(=O)C(NC(=O)CCCCC1SCC2NC(=O)NC12)CCCCN)CCC3)CCC(=O)N)CCC(=O)N)Cc4ccccc4)Cc5ccccc5)CC(C)C)CCSC
• InChI: 1S/C62H93N15O13S2/c1-36(2)31-43(58(86)70-39(54(66)82)27-30-91-3)69-52(81)34-67-55(83)44(32-37-15-6-4-7-16-37)73-59(87)45(33-38-17-8-5-9-18-38)74-57(85)40(23-25-49(64)78)71-56(84)41(24-26-50(65)79)72-60(88)47-20-14-29-77(47)61(89)42(19-12-13-28-63)68-51(80)22-11-10-21-48-53-46(35-92-48)75-62(90)76-53/h4-9,15-18,36,39-48,53H,10-14,19-35,63H2,1-3H3,(H2,64,78)(H2,65,79)(H2,66,82)(H,67,83)(H,68,80)(H,69,81)(H,70,86)(H,71,84)(H,72,88)(H,73,87)(H,74,85)(H2,75,76,90)
• InChIKey: RLLIICTVTZJCRU-UHFFFAOYSA-N

Properties

• Density: 1.276g/cm³ (Cal.)
• Boiling point: 1725.352°C at 760 mmHg (Cal.)
• Flash point: 997.257°C (Cal.)