Gastrin heptadecapeptide, nle(15)-

Base Information

• Chemical Name: Gastrin heptadecapeptide, nle(15)-
• CAS No.: 82695-69-0
• Molecular Formula: C98H126 N20 O31
• Molecular Weight: 2080.16
• DSSTox Substance ID: DTXSID90231967
• Mol file: 82695-69-0.mol

Synonyms:15-Ahx-gastrin 17;15-Nle-gastrin heptadecapeptide;gastrin heptadecapeptide, 2-aminohexanoic acid(15)-;gastrin heptadecapeptide, Ahx(15)-;gastrin heptadecapeptide, Nle(15)-;gastrin heptadecapeptide, norleucine(15)-;little gastrin I, Ahx(15)-;little gastrin I, Nle(15)

Chemical Property of Gastrin heptadecapeptide, nle(15)-

Chemical Property:

• XLogP3: -0.4
• Hydrogen Bond Donor Count: 26
• Hydrogen Bond Acceptor Count: 31
• Rotatable Bond Count: 62
• Exact Mass: 2079.8931421
• Heavy Atom Count: 149
• Complexity: 4720

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCC(C(=O)NC(CC(=O)O)C(=O)NC(CC1=CC=CC=C1)C(=O)N)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)CNC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C(C)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(CC5=CNC6=CC=CC=C65)NC(=O)C7CCCN7C(=O)CNC(=O)C8CCC(=O)N8
• Isomeric SMILES: CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)CNC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](C)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](CC5=CNC6=CC=CC=C65)NC(=O)[C@@H]7CCCN7C(=O)CNC(=O)[C@@H]8CCC(=O)N8

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