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Chemical structure of Gastrin I (1-14), human

GC36123

Gastrin I (1-14), human

Also known as (4S)-4-[[(2S)-4-carboxy-2-[[(2S)-4-carboxy-2-[[(2S)-4-carboxy-2-[[(2S)-4-carboxy-2-[[(2S)-2-[[(2S)-3-(1H-indol-3-yl)-2-[[(2S)-1-[2-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]butanoyl]amino]-5-[[(2S)-1-[[(2S)-1-[[2-[[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-2-oxoethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Gastrin I (1-14), human is 1-14 fragment of human gastrin I peptide

ChemicalCAS100940-57-6MW1705.73FormulaC79H100N16O27
CAS number
100940-57-6
Molecular weight
1705.73
Formula
C79H100N16O27
Solubility
Soluble in DMSO
InChIKey
WRJJBRDFCLLYQF-LGDYVKIMSA-N
Catalogue number
GC36123
Brand
GLPBIO
Computed properties PubChem CID 131842901 · XLogP -1.1 · TPSA 674 Ų · H-bond donors 22
XLogP
-1.1
TPSA
674 Ų
H-bond donors
22
H-bond acceptors
27
Rotatable bonds
49
Heavy atoms
122

SMILES C[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)NCC(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC4=CNC5=CC=CC=C54)NC(=O)[C@@H]6CCCN6C(=O)CNC(=O)[C@@H]7CCC(=O)N7

Computed descriptors from PubChem (CID 131842901), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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