Secretin (21-27)

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-N-[2-[[(2S)-1-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]pentanediamide

Also Known As: Secretin (21-27)|L-Valinamide, L-arginyl-L-leucyl-L-leucyl-L-glutaminylglycyl-L-leucyl-|n5-(diaminomethylidene)-l-ornithyl-l-leucyl-l-leucyl-l-glutaminylglycyl-l-leucyl-l-valinamide|(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-N-[2-[[(2S)-1-[[(2S)-1-amino-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]pentanediamide

Molecular Formula	C36H68N12O8
Molecular Weight	796.5283 g/mol
LogP	-0.7
Topological Polar Surface Area	351.0 Ų
Hydrogen Bond Donors	11
Hydrogen Bond Acceptors	10
Rotatable Bonds	27
Exact Mass	796.5283
Monoisotopic Mass	796.5283
Heavy Atoms	56
Complexity	1370.0

Chemical Identifiers

CAS Number	325-89-3
SMILES	CC(C)C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N)NC(=O)CNC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)N
InChIKey	YBMXBJXMYNRVEZ-WTWMNNMUSA-N