8-(4-Benzoyl-L-phenylalanine)substance P
[CAS# 130409-05-1]

Identification

• Name: 8-(4-Benzoyl-L-phenylalanine)substance P
• Synonyms: Substance P, 8-(4-Benzoyl-L-Phenylalanine)-; Substance P, Bpa(8)-; Substance P, Benzoylphenylalanyl(8)-
• Molecular Formula: C₇₀H₁₀₂N₁₈O₁₄S
• Molecular Weight: 1451.75
• CAS Registry Number: 130409-05-1
• SMILES: [C@H]1(CCCN1C(=O)[C@@H](NC([C@@H]2CCCN2C(=O)[C@H](CCCNC(=N)N)N)=O)CCCCN)C(=O)N[C@H](C(N[C@H](C(N[C@H](C(N[C@H](C(NCC(N[C@@H](CC(C)C)C(=O)N[C@H](C(N)=O)CCSC)=O)=O)CC3=CC=C(C=C3)C(C4=CC=CC=C4)=O)=O)CC5=CC=CC=C5)=O)CCC(N)=O)=O)CCC(=O)N
• InChI: 1S/C70H102N18O14S/c1-41(2)37-51(64(97)81-47(60(75)93)31-36-103-3)80-58(91)40-79-61(94)52(39-43-23-25-45(26-24-43)59(92)44-17-8-5-9-18-44)85-65(98)53(38-42-15-6-4-7-16-42)86-63(96)48(27-29-56(73)89)82-62(95)49(28-30-57(74)90)83-66(99)55-22-14-35-88(55)69(102)50(20-10-11-32-71)84-67(100)54-21-13-34-87(54)68(101)46(72)19-12-33-78-70(76)77/h4-9,15-18,23-26,41,46-55H,10-14,19-22,27-40,71-72H2,1-3H3,(H2,73,89)(H2,74,90)(H2,75,93)(H,79,94)(H,80,91)(H,81,97)(H,82,95)(H,83,99)(H,84,100)(H,85,98)(H,86,96)(H4,76,77,78)/t46-,47-,48-,49-,50-,51-,52-,53-,54-,55-/m0/s1
• InChIKey: ZQMKXQSZKNGIBC-CXLWOFLVSA-N

Properties

• Density: 1.41g/cm³ (Cal.)