(2S)-N-[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[2-[[(4S)-8,9-diamino-2-methyl-6-methylsulfonyl-5,9-dioxononan-4-yl]amino]-2-oxoethyl]-methylamino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1,5-dioxopentan-2-yl]-2-(3-aminopropanoylamino)pentanediamide

Base Information

• Chemical Name: (2S)-N-[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[2-[[(4S)-8,9-diamino-2-methyl-6-methylsulfonyl-5,9-dioxononan-4-yl]amino]-2-oxoethyl]-methylamino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1,5-dioxopentan-2-yl]-2-(3-aminopropanoylamino)pentanediamide
• CAS No.: 110863-38-2
• Molecular Formula: C45H67 N11 O12 S
• Molecular Weight: 986.15
• Mol file: 110863-38-2.mol

Synonyms:4-beta-Ala-9-Sar-11-Met(02)-substance P (4-11);Ala-Sar-Met-SP(4-11);substance P (4-11), beta-Ala(4)-Sar(9)-Met(02)(11)-;substance P (4-11), beta-alanyl(4)-sarcosyl(9)-methionine(02)(11)-

Chemical Property of (2S)-N-[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[2-[[(4S)-8,9-diamino-2-methyl-6-methylsulfonyl-5,9-dioxononan-4-yl]amino]-2-oxoethyl]-methylamino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1,5-dioxopentan-2-yl]-2-(3-aminopropanoylamino)pentanediamide

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 1448°Cat760mmHg
• Flash Point: 829.5°C
• PSA: 427.13000
• Density: 1.298g/cm³
• LogP: 6.59710
• XLogP3: -2.8
• Hydrogen Bond Donor Count: 10
• Hydrogen Bond Acceptor Count: 14
• Rotatable Bond Count: 31
• Exact Mass: 985.46913779
• Heavy Atom Count: 69
• Complexity: 1900

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CC(C(=O)C(CC(C(=O)N)N)S(=O)(=O)C)NC(=O)CN(C)C(=O)C(CC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CCC(=O)N)NC(=O)C(CCC(=O)N)NC(=O)CCN
• Isomeric SMILES: CC(C)C[C@@H](C(=O)C(CC(C(=O)N)N)S(=O)(=O)C)NC(=O)CN(C)C(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)CCN