(D-Pro2,D-Phe7,D-Trp9)-Substance P
[CAS# 77275-70-8]

Identification

• Name: (D-Pro2,D-Phe7,D-Trp9)-Substance P
• Synonyms: 2-Pro-7-Phe-9-Trp-Substance P; 2-Prolyl-7-Phenylalanyl-9-Tryptophan-Substance P; Substance P, 2-D-Proline-7-D-Phenylalanine-9-D-Tryptophan-
• Molecular Formula: C₇₂H₁₀₅N₁₉O₁₃S
• Molecular Weight: 1476.80
• CAS Registry Number: 77275-70-8
• SMILES: [C@@H]1(CCCN1C([C@H](CCCNC(=N)N)N)=O)C(N[C@H](C(N2CCC[C@H]2C(N[C@@H](CCC(N)=O)C(N[C@@H](CCC(N)=O)C(N[C@@H](C(N[C@H](C(N[C@H](CC3=C[NH]C4=C3C=CC=C4)C(NC(CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N)=O)=O)CC5=CC=CC=C5)=O)CC6=CC=CC=C6)=O)=O)=O)=O)CCCCN)=O
• InChI: 1S/C72H105N19O13S/c1-42(2)37-53(64(97)82-49(61(77)94)31-36-105-3)86-67(100)56(40-45-41-81-48-23-11-10-21-46(45)48)89-66(99)55(39-44-19-8-5-9-20-44)88-65(98)54(38-43-17-6-4-7-18-43)87-63(96)50(27-29-59(75)92)83-62(95)51(28-30-60(76)93)84-68(101)58-26-16-35-91(58)71(104)52(24-12-13-32-73)85-69(102)57-25-15-34-90(57)70(103)47(74)22-14-33-80-72(78)79/h4-11,17-21,23,41-42,47,49-58,81H,12-16,22,24-40,73-74H2,1-3H3,(H2,75,92)(H2,76,93)(H2,77,94)(H,82,97)(H,83,95)(H,84,101)(H,85,102)(H,86,100)(H,87,96)(H,88,98)(H,89,99)(H4,78,79,80)/t47-,49-,50-,51-,52-,53?,54+,55-,56+,57+,58-/m0/s1
• InChIKey: DJTXGXBJAUKOBG-YHWCEVJTSA-N