Triornicin

[(E)-5-[hydroxy-[3-[(2S,5S)-5-[3-[hydroxy-[(E)-5-hydroxy-3-methylpent-2-enoyl]amino]propyl]-3,6-dioxopiperazin-2-yl]propyl]amino]-3-methyl-5-oxopent-3-enyl] (2S)-2-acetamido-5-[acetyl(hydroxy)amino]pentanoate

Also Known As: Triornicin|[(E)-5-[hydroxy-[3-[(2S,5S)-5-[3-[hydroxy-[(E)-5-hydroxy-3-methylpent-2-enoyl]amino]propyl]-3,6-dioxopiperazin-2-yl]propyl]amino]-3-methyl-5-oxopent-3-enyl] (2S)-2-acetamido-5-[acetyl(hydroxy)amino]pentanoate|L-Ornithine, N2,N5-diacetyl-N5-hydroxy-, 5-(hydroxy(3-(5-(3-(hydroxy(5-hydroxy-3-methyl-1-oxo-2-pentenyl)amino)propyl)-3,6-dioxo-2-piperazinyl)propyl)amino)-3-methyl-5-oxo-3-pentenyl ester, (2S-(2alpha(E),5alpha(E)))-|(3E)-4-({3-[(2S,5S)-5-{3-[(2E)-N,5-DIHYDROXY-3-METHYLPENT-2-ENAMIDO]PROPYL}-3,6-DIOXOPIPERAZIN-2-YL]PROPYL}(HYDROXY)CARBAMOYL)-3-METHYLBUT-3-EN-1-YL (2S)-2-ACETAMIDO-5-(N-HYDROXYACETAMIDO)PENTANOATE|[(E)-5-[hydroxy-[3-[(2S,5S)-5-[3-[hydroxy-[(E)-5-hydroxy-3-methylpent-2-enoyl]amino]propyl]-3,6-dioxopiperazin-2-yl]propyl]amino]-3-methyl-5-oxopent-3-enyl] (2S)-2-acetamido-5-(acetyl-hydroxyamino)pentanoate|N2,N5-Diacetyl-N5-hydroxy-L-ornithine (E)-5-[hydroxy[3-[(2S)-5beta-[3-[hydroxy[(E)-5-hydroxy-3-methyl-1-oxo-2-pentenyl]amino]propyl]-3,6-dioxo-2beta-piperazinyl]propyl]amino]-3-methyl-5-oxo-3-pentenyl ester

Molecular Formula	C31H50N6O12
Molecular Weight	698.3487 g/mol
LogP	-0.3035
Topological Polar Surface Area	255.45 Ų
Hydrogen Bond Donors	7
Hydrogen Bond Acceptors	12
Rotatable Bonds	21
Exact Mass	698.3487
Monoisotopic Mass	698.3487
Heavy Atoms	49
Complexity	1239.2949

Chemical Identifiers

CAS Number	77165-75-4
SMILES	C/C(=C\C(=O)N(CCC[C@H]1C(=O)N[C@H](C(=O)N1)CCCN(C(=O)/C=C(\C)/CCOC(=O)[C@H](CCCN(C(=O)C)O)NC(=O)C)O)O)/CCO