Compound C37H49N7O9S

4-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-3-[[2-[[3-(1H-indol-3-yl)-2-[3-(2-methylpropoxycarbonylamino)propanoylamino]propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-oxobutanoic acid

CAS: 15686-70-1

Molecular Formula	`C37H49N7O9S`
Molecular Weight	767.9 g/mol
LogP	2.2
Topological Polar Surface Area	276.0 A2
Hydrogen Bond Donors	8
Hydrogen Bond Acceptors	10
Rotatable Bonds	23
Exact Mass	767.33124
Heavy Atoms	54
Complexity	1280.0

Chemical Identifiers

CAS Number	15686-70-1
SMILES	`CC(C)COC(=O)NCCC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CCSC)C(=O)NC(CC(=O)O)C(=O)NC(CC3=CC=CC=C3)C(=O)N`
InChIKey	`ALXRNCVIQSDJAO-UHFFFAOYSA-N`

📖 Product Overview

Compound C37H49N7O9S (CAS: 15686-70-1) is a chemical compound with molecular formula C37H49N7O9S and molecular weight 767.9 g/mol. Its IUPAC systematic name is 4-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-3-[[2-[[3-(1H-indol-3-yl)-2-[3-(2-methylpropoxycarbonylamino)propanoylamino]propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-oxobutanoic acid. LogP 2.2 Topological Polar Surface Area 276.0 A2 Hydrogen Bond Donors 8 Hydrogen Bond Acceptors 10 Rotatable Bonds 23 Exact Mass 767.33124 Heavy Atoms 54 Complexity 1280.0 InChI Key: ALXRNCVIQSDJAO-UHFFFAOYSA-N. SMILES: CC(C)COC(=O)NCCC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)NC(CCSC)C(=O)NC(CC(=O)O)C(=O)NC(CC3=CC=CC=C3)C(=O)N.

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