Eledoisin (7-11)

(2S,3S)-N-[2-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-methylpentanamide

Also Known As: Eledoisin (7-11)|l-phenylalanyl-l-isoleucylglycyl-l-leucyl-l-methioninamide|L-Methioninamide, L-phenylalanyl-L-isoleucylglycyl-L-leucyl-|(2S,3S)-N-[2-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-3-methylpentanamide|L-Methioninamide,L-phenylalanyl-L-isoleucylglycyl-L-leucyl- (9CI)|(2S,3S)-2-((S)-2-amino-3-phenylpropanamido)-N-(2-(((S)-1-(((S)-1-amino-4-(methylthio)-1-oxobutan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)amino)-2-oxoethyl)-3-methylpentanamide

Molecular Formula	C28H46N6O5S
Molecular Weight	578.325 g/mol
LogP	0.9
Topological Polar Surface Area	211.0 Ų
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	7
Rotatable Bonds	18
Exact Mass	578.325
Monoisotopic Mass	578.325
Heavy Atoms	40
Complexity	836.0

Chemical Identifiers

CAS Number	7356-08-3
SMILES	CC[C@H](C)[C@@H](C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(=O)N)NC(=O)[C@H](CC1=CC=CC=C1)N
InChIKey	COYPJFDNWRWXRU-YTZISMEFSA-N