Arg(1)-Pro(2)-Trp(7,9)-Leu(11)-Substance P
[CAS# 83374-71-4]

Identification

• Name: Arg(1)-Pro(2)-Trp(7,9)-Leu(11)-Substance P
• Synonyms: Apttlsp; Substance P, 1-D-Arginine-2-D-Proline-7-D-Tryptophan-9-D-Tryptophan-11-D-Leucine; Substance P, Arg(1)-Pro(2)-Trp(7,9)-Leu(11)-
• Molecular Formula: C₇₅H₁₀₇N₁₉O₁₄
• Molecular Weight: 1498.79
• CAS Registry Number: 83374-71-4
• SMILES: [C@@H]1(CCCN1C(=O)[C@@H](CCCNC(N)=N)N)C(N[C@H](C(N2[C@@H](CCC2)C(N[C@H](C(N[C@H](C(N[C@@H](C(N[C@H](C(NC(CC3=C[NH]C4=C3C=CC=C4)C(N[C@@H](CC(C)C)C(=O)NC(C(O)=O)CC(C)C)=O)=O)CC5=CC=CC=C5)=O)CC6=C[NH]C7=C6C=CC=C7)=O)CCC(N)=O)=O)CCC(N)=O)=O)=O)CCCCN)=O
• InChI: 1S/C75H107N19O14/c1-42(2)35-55(66(99)92-59(74(107)108)36-43(3)4)88-68(101)58(39-46-41-84-51-23-11-9-20-48(46)51)91-67(100)56(37-44-17-6-5-7-18-44)89-69(102)57(38-45-40-83-50-22-10-8-19-47(45)50)90-65(98)52(27-29-62(78)95)85-64(97)53(28-30-63(79)96)86-70(103)61-26-16-34-94(61)73(106)54(24-12-13-31-76)87-71(104)60-25-15-33-93(60)72(105)49(77)21-14-32-82-75(80)81/h5-11,17-20,22-23,40-43,49,52-61,83-84H,12-16,21,24-39,76-77H2,1-4H3,(H2,78,95)(H2,79,96)(H,85,97)(H,86,103)(H,87,104)(H,88,101)(H,89,102)(H,90,98)(H,91,100)(H,92,99)(H,107,108)(H4,80,81,82)/t49-,52+,53+,54+,55+,56+,57-,58?,59?,60-,61+/m1/s1
• InChIKey: JRNFDWFXUSDMHP-ZPUKDRMSSA-N