Uperolein

4-[2-[[4-amino-1-[[1-[[1-[[1-[[2-[[1-[(1-amino-4-methylsulfanyl-1-oxobutan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-oxo-3-[[1-(5-oxopyrrolidine-2-carbonyl)pyrrolidine-2-carbonyl]amino]butanoic acid

Also Known As: Uperolein|2-L-Proline-6-L-alaninephysalemin|4-[2-[[4-amino-1-[[1-[[1-[[1-[[2-[[1-[(1-amino-4-methylsulfanyl-1-oxobutan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-oxo-3-[[1-(5-oxopyrrolidine-2-carbonyl)pyrrolidine-2-carbonyl]amino]butanoic acid|H-DL-Pyr-DL-Pro-DL-Asp-DL-Pro-DL-Asn-DL-Ala-DL-Phe-DL-Tyr-Gly-DL-Leu-DL-Met-NH2

Molecular Formula	C57H79N13O16S
Molecular Weight	1233.5488 g/mol
LogP	-3.3977
Topological Polar Surface Area	446.23 Ų
Hydrogen Bond Donors	13
Hydrogen Bond Acceptors	16
Rotatable Bonds	32
Exact Mass	1233.5488
Monoisotopic Mass	1233.5488
Heavy Atoms	87
Complexity	2863.5051

Chemical Identifiers

CAS Number	55601-63-3
SMILES	CC(C)CC(C(=O)NC(CCSC)C(=O)N)NC(=O)CNC(=O)C(CC1=CC=C(C=C1)O)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(C)NC(=O)C(CC(=O)N)NC(=O)C3CCCN3C(=O)C(CC(=O)O)NC(=O)C4CCCN4C(=O)C5CCC(=O)N5