Mycoplanecin A, dihydro-

(2S)-4-ethyl-1-[(2S)-2-[2-hydroxybutanoyl(methyl)amino]-3-methylbutanoyl]-N-methyl-N-[(3S,6S,9S,15S,18S,19R,25R,28S)-4,11,19,26-tetramethyl-6-(3-methylbutyl)-15,25-bis(2-methylpropyl)-2,5,8,14,17,21,24,27-octaoxo-3-propan-2-yl-20-oxa-1,4,7,13,16,23,26-heptazatricyclo[26.3.0.09,13]hentriacontan-18-yl]pyrrolidine-2-carboxamide

Also Known As: Dihydromycoplanecin A|Mycoplanecin A, dihydro-|Dihydromycoplanecin-A|Mycoplanecin A, 1-(N-(2-hydroxy-1-oxobutyl)-N-methylvaline)-|Mycoplanecin A, 1-[N-(2-hydroxy-1-oxobutyl)-N-methylvaline]-|(2S)-4-ethyl-1-[(2S)-2-[2-hydroxybutanoyl(methyl)amino]-3-methylbutanoyl]-N-methyl-N-[(3S,6S,9S,15S,18S,19R,25R,28S)-4,11,19,26-tetramethyl-6-(3-methylbutyl)-15,25-bis(2-methylpropyl)-2,5,8,14,17,21,24,27-octaoxo-3-propan-2-yl-20-oxa-1,4,7,13,16,23,26-heptazatricyclo[26.3.0.09,13]hentriacontan-18-yl]pyrrolidine-2-carboxamide|(2S)-N-(diisobutyl-isopentyl-isopropyl-tetramethyl-octaoxo-[?]yl)-4-ethyl-1-[(2S)-2-[2-hydroxybutanoyl(methyl)amino]-3-methyl-butanoyl]-N-methyl-pyrrolidine-2-carboxamide

Molecular Formula	C61H104N10O13
Molecular Weight	1184.7784 g/mol
LogP	2.79
Topological Polar Surface Area	276.0 Ų
Hydrogen Bond Donors	4
Hydrogen Bond Acceptors	13
Rotatable Bonds	16
Exact Mass	1184.7784
Heavy Atoms	84
Complexity	2365.4

Chemical Identifiers

CAS Number	79003-68-2
SMILES	CCC1C[C@H](N(C1)C(=O)[C@H](C(C)C)N(C)C(=O)C(CC)O)C(=O)N(C)[C@H]2[C@H](OC(=O)CNC(=O)[C@H](N(C(=O)[C@@H]3CCCN3C(=O)[C@@H](N(C(=O)[C@@H](NC(=O)[C@@H]4CC(CN4C(=O)[C@@H](NC2=O)CC(C)C)C)CCC(C)C)C)C(C)C)C)CC(C)C)C