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Chemical structure of Substance P 1-9

GC37697

Substance P 1-9

Also known as 2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-1-[(2S)-6-amino-2-[[(2S)-1-[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]pyrrolidine-2-carbonyl]amino]hexanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]acetic acid

Substance P 1-9 is nonapeptide, which decreases the inactivation of substance P by the guinea-pig ileum and urinary bladder

ChemicalCAS57468-17-4MW1104.26FormulaC52H77N15O12
CAS number
57468-17-4
Molecular weight
1104.26
Formula
C52H77N15O12
Solubility
DMSO ： 25 mg/mL (22·64 mM; Need ultrasonic)
InChIKey
FVHHQLNFRHVTSN-TZPCGENMSA-N
Catalogue number
GC37697
Brand
GLPBIO
Computed properties PubChem CID 189167 · XLogP -5.4 · TPSA 455 Ų · H-bond donors 13
XLogP
-5.4
TPSA
455 Ų
H-bond donors
13
H-bond acceptors
15
Rotatable bonds
33
Heavy atoms
79

SMILES C1C[C@H](N(C1)C(=O)[C@H](CCCN=C(N)N)N)C(=O)N[C@@H](CCCCN)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)NCC(=O)O

Computed descriptors from PubChem (CID 189167), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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