cyclo[D-Asn-Gln-Pro-D-Asn-Ser-bAla(3-undecyl)-Asn-D-Tyr]

3-[(3S,6R,9R,12S,19S,22R,25S)-6,12,22-tris(2-amino-2-oxoethyl)-19-(hydroxymethyl)-9-[(4-hydroxyphenyl)methyl]-2,5,8,11,14,18,21,24-octaoxo-16-undecyl-1,4,7,10,13,17,20,23-octazabicyclo[23.3.0]octacosan-3-yl]propanamide

Also Known As: Iturin D|Iturin A 2 8

Molecular Formula	C48H74N12O14
Molecular Weight	1042.5448 g/mol
LogP	-3.4721
Topological Polar Surface Area	436.83 Ų
Hydrogen Bond Donors	13
Hydrogen Bond Acceptors	14
Rotatable Bonds	22
Exact Mass	1042.5448
Monoisotopic Mass	1042.5448
Heavy Atoms	74
Complexity	2160.7107

Chemical Identifiers

CAS Number	83785-07-3
SMILES	CCCCCCCCCCCC1CC(=O)N[C@H](C(=O)N[C@@H](C(=O)N[C@@H](C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](C(=O)N[C@H](C(=O)N1)CO)CC(=O)N)CCC(=O)N)CC(=O)N)CC3=CC=C(C=C3)O)CC(=O)N