Cepacidine A

2-[25-amino-22-(2-amino-1-hydroxy-2-oxoethyl)-19-[6-amino-4-hydroxy-2-(3,4,5-trihydroxyoxan-2-yl)oxypentadecyl]-12-[hydroxy-(4-hydroxyphenyl)methyl]-6,15-bis(hydroxymethyl)-2,5,8,11,14,17,21,24-octaoxo-1,4,7,10,13,16,20,23-octazacycloheptacos-9-yl]acetic acid

Also Known As: Cepacidine A|Cepacidin A|KST-1A2420|2-[25-amino-22-(2-amino-1-hydroxy-2-oxoethyl)-19-[6-amino-4-hydroxy-2-(3,4,5-trihydroxyoxan-2-yl)oxypentadecyl]-12-[hydroxy-(4-hydroxyphenyl)methyl]-6,15-bis(hydroxymethyl)-2,5,8,11,14,17,21,24-octaoxo-1,4,7,10,13,16,20,23-octazacycloheptacos-9-yl]acetic acid|[25-amino-22-(2-amino-1-hydroxy-2-oxoethyl)-19-[6-amino-4-hydroxy-2-(pentopyranosyloxy)pentadecyl]-12-[hydroxy(4-hydroxyphenyl)methyl]-6,15-bis(hydroxymethyl)-2,5,8,11,14,17,21,24-octaoxo-1,4,7,10,13,16,20,23-octaazacycloheptacosan-9-yl]acetic acid|2-[25-amino-22-(2-amino-1-hydroxy-2-oxoethyl)-19-[6-amino-4-hydroxy-2-(3,4,5-trihydroxyoxan-2-yl)oxypentadecyl]-12-[hydroxy-(4-hydroxyphenyl)methyl]-6,15-bis(hydroxymethyl)-2,5,8,11,14,17,21,24-octaoxo-1,4,7,10,13,16,20,23-octazacycloheptacos-9-yl]acetic

Molecular Formula	C52H85N11O22
Molecular Weight	1215.587 g/mol
LogP	-6.9
Topological Polar Surface Area	566.0 Ų
Hydrogen Bond Donors	21
Hydrogen Bond Acceptors	24
Rotatable Bonds	24
Exact Mass	1215.587
Monoisotopic Mass	1215.587
Heavy Atoms	85
Complexity	2180.0

Chemical Identifiers

CAS Number	19394-08-2
SMILES	CCCCCCCCCC(CC(CC(CC1CC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC(=O)NCCC(C(=O)NC(C(=O)N1)C(C(=O)N)O)N)CO)CC(=O)O)C(C2=CC=C(C=C2)O)O)CO)OC3C(C(C(CO3)O)O)O)O)N
InChIKey	AHNDNUVPXFPPIH-UHFFFAOYSA-N