Leucinostatin D

(4R)-N-[1-[[3-hydroxy-4-methyl-1-[[2-methyl-1-[[4-methyl-1-[[4-methyl-1-[[2-methyl-1-[[2-methyl-1-[[3-[1-(methylamino)propan-2-ylamino]-3-oxopropyl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-methyl-1-[(E,4S)-4-methylhex-2-enoyl]pyrrolidine-2-carboxamide

Also Known As: Leucinostatin D|Leucinostatin-D|Paecilotoxin D|(4R)-N-[1-[[3-hydroxy-4-methyl-1-[[2-methyl-1-[[4-methyl-1-[[4-methyl-1-[[2-methyl-1-[[2-methyl-1-[[3-[1-(methylamino)propan-2-ylamino]-3-oxopropyl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-4-methyl-1-[(E,4S)-4-methylhex-2-enoyl]pyrrolidine-2-carboxamide|Leucinostatin D M+H putative observed in leucinostatin A/B standard|(4R)-N-(26-(1-hydroxy-2-methylpropyl)-17,20-diisobutyl-4,11,11,14,14,23,23,31-octamethyl-6,10,13,16,19,22,25,28-octaoxo-2,5,9,12,15,18,21,24,27-nonaazadotriacontan-29-yl)-4-methyl-1-((S,E)-4-methylhex-2-enoyl)pyrrolidine-2-carboxamide|(4R)-N-(1-((3-hydroxy-4-methyl-1-((2-methyl-1-((4-methyl-1-((4-methyl-1-((2-methyl-1-((2-methyl-1-((3-(1-(methylamino)propan-2-ylamino)-3-oxopropyl)amino)-1-oxopropan-2-yl)amino)-1-oxopropan-2-yl)amino)-1-oxopentan-2-yl)amino)-1-oxopentan-2-yl)amino)-1-oxopropan-2-yl)amino)-1-oxopentan-2-yl)amino)-4-methyl-1-oxopentan-2-yl)-4-methyl-1-((E,4S)-4-methylhex-2-enoyl)pyrrolidine-2-carboxamide|(4R)-N-[1-[[3-hydroxy-4-methyl-1-[[2-methyl-1-[[4-methyl-1-[[4-methyl-1-[[2-methyl-1-[[2-methyl-1-[[3-[1-(methylamino)propan-2-ylamino]-3-oxopropyl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-oxopentan-2-yl]amino]-1-ox

Molecular Formula	C56H101N11O11
Molecular Weight	1103.7682 g/mol
LogP	1.8349
Topological Polar Surface Area	314.47 Ų
Hydrogen Bond Donors	11
Hydrogen Bond Acceptors	12
Rotatable Bonds	32
Exact Mass	1103.7682
Monoisotopic Mass	1103.7682
Heavy Atoms	78
Complexity	2089.8804

Chemical Identifiers

CAS Number	100334-47-2
SMILES	CC[C@H](C)/C=C/C(=O)N1C[C@@H](CC1C(=O)NC(CC(C)C)C(=O)NC(C(C(C)C)O)C(=O)NC(C)(C)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCCC(=O)NC(C)CNC)C