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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 178808317Generated: November 2, 2026

substance P, alpha-N-Arg(1)-epsilon-N-Lys(3)-di-(pyridoxal phosphate)-

substance P, alpha-N-Arg(1)-epsilon-N-Lys(3)-di-(pyridoxal phosphate)- · Substance P, 1-[N5-[[[[3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl]methyl]amino]iminomethyl]-L-ornithine]-3-[N6-[[3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl]methyl]-L-lysine]- (9CI)

https://huagongshe.com/en/chemical/178808317

substance P, alpha-N-Arg(1)-epsilon-N-Lys(3)-di-(pyridoxal phosphate)- molecular structure

Identifiers & Physical Properties

CAS No.101213-43-8
Molecular formulaC79H118N20O23P2S
Average molar mass1,809.94 g/mol
SMILESCSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCNCc1c(COP(=O)(O)O)cnc(C)c1O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCCNC(=N)NCc1c(COP(=O)(O)O)cnc(C)c1O)C(N)=O
InChIKeyWBIKEBIEBAOMEK-FRKMYYPUSA-N

Chemical & Physical Properties

Density1.51±0.1 g/cm3(Predicted)
pKa (acidity coefficient)1.58±0.10(Predicted)