enkephalin-Leu, Ala(2)-cystamine-dimer-

2-[[2-[[2-[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]acetyl]amino]-3-phenylpropanoyl]amino]-N-[2-[2-[[2-[[2-[[2-[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]ethyldisulfanyl]ethyl]-4-methylpentanamide

Also Known As: CELAD|2-Ala-cystamine-dimer-leu-enkephalin|Enkephalin-leu, ala(2)-cystamine-dimer-|Leu-enkephalin, ala(2)-cystamine dimer-|Enkephalin-leu, alanine(2)-cystamine-dimer-|Leucine-enkephalin, ala(2)-cystamine-dimer-|2-[[2-[[2-[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]acetyl]amino]-3-phenyl-propanoyl]amino]-n-[2-[2-[[2-[[2-[[2-[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]acetyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]amino]ethyldisulfanyl]ethyl]-4-methyl-pentanamide|2-[[2-[[2-[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]acetyl]amino]-3-phenyl-propanoyl]amino]-N-[2-[2-[[2-[[2-[[2-[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]acetyl]amino]-3-phenyl-propanoyl]amino]-4-methyl-pentanoyl]|2-[[2-[[2-[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]acetyl]amino]-3-phenylpropanoyl]amino]-N-[2-[2-[[2-[[2-[[2-[2-[[2-amino-3-(4-hydroxyphenyl)propanoyl]amino]propanoylamino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]ethyldisulfanyl]ethyl]-4-methylpentanamide

Molecular Formula	C62H86N12O12S2
Molecular Weight	1254.593 g/mol
LogP	4.0
Topological Polar Surface Area	434.0 Ų
Hydrogen Bond Donors	14
Hydrogen Bond Acceptors	16
Rotatable Bonds	37
Exact Mass	1254.593
Monoisotopic Mass	1254.593
Heavy Atoms	88
Complexity	2060.0

Chemical Identifiers

CAS Number	6303-07-7
SMILES	CC(C)CC(C(=O)NCCSSCCNC(=O)C(CC(C)C)NC(=O)C(CC1=CC=CC=C1)NC(=O)CNC(=O)C(C)NC(=O)C(CC2=CC=C(C=C2)O)N)NC(=O)C(CC3=CC=CC=C3)NC(=O)CNC(=O)C(C)NC(=O)C(CC4=CC=C(C=C4)O)N
InChIKey	VBKMVZHRPRDULM-UHFFFAOYSA-N