D-Arginyl-L-Prolyl-L-Lysyl-L-Prolyl-L-Glutaminyl-L-Glutaminyl-D-Tryptophyl-L-Phenylalanyl-D-Tryptophyl-L-Leucyl-L-Leucinamide
[CAS# 91224-37-2]

Identification

• Name: D-Arginyl-L-Prolyl-L-Lysyl-L-Prolyl-L-Glutaminyl-L-Glutaminyl-D-Tryptophyl-L-Phenylalanyl-D-Tryptophyl-L-Leucyl-L-Leucinamide
• Synonyms: L-Leucinamide, D-Arginyl-L-Prolyl-L-Lysyl-L-Prolyl-L-Glutaminyl-L-Glutaminyl-D-Tryptophyl-L-Phenylalanyl-D-Tryptophyl-L-Leucyl-; Spantide; Spantide I
• Molecular Formula: C₇₅H₁₀₈N₂₀O₁₃
• Molecular Weight: 1497.80
• CAS Registry Number: 91224-37-2
• SMILES: [C@H](CC1=C[NH]C2=CC=CC=C12)(NC([C@@H](NC([C@@H](CC3=C[NH]C4=C3C=CC=C4)NC(=O)C(CCC(=O)N)NC([C@H](CCC(N)=O)NC(=O)C5CCCN5C(=O)[C@@H](NC(C6CCCN6C(=O)[C@@H](CCCNC(=N)N)N)=O)CCCCN)=O)=O)CC7=CC=CC=C7)=O)C(=O)NC(CC(C)C)C(N[C@@H](CC(C)C)C(N)=O)=O
• InChI: 1S/C75H108N20O13/c1-42(2)35-55(64(80)98)89-67(101)56(36-43(3)4)90-69(103)59(39-46-41-85-51-23-11-9-20-48(46)51)93-68(102)57(37-44-17-6-5-7-18-44)91-70(104)58(38-45-40-84-50-22-10-8-19-47(45)50)92-66(100)52(27-29-62(78)96)86-65(99)53(28-30-63(79)97)87-71(105)61-26-16-34-95(61)74(108)54(24-12-13-31-76)88-72(106)60-25-15-33-94(60)73(107)49(77)21-14-32-83-75(81)82/h5-11,17-20,22-23,40-43,49,52-61,84-85H,12-16,21,24-39,76-77H2,1-4H3,(H2,78,96)(H2,79,97)(H2,80,98)(H,86,99)(H,87,105)(H,88,106)(H,89,101)(H,90,103)(H,91,104)(H,92,100)(H,93,102)(H4,81,82,83)/t49-,52?,53+,54+,55+,56?,57+,58-,59-,60?,61?/m1/s1
• InChIKey: SAPCBHPQLCZCDV-PGNFWBDCSA-N

Properties

• Density: 1.43g/cm³ (Cal.)