Neoatroviridin b

Formula: C82H144N20O21
Molecular weight: 1746.10
Smiles: CCC(C)(C(=O)NC(CCC(=O)N)C(=O)NC(C)(C)C(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)NCC(=O)NC(C)(CC)C(=O)NC(C)(C)C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(CCC(=O)N)C(=O)NC(CC(C)C)CO)NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)CNC(=O)C(C)(C)NC(=O)C

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Neoatroviridin b

Names

Structural Information

Physico-chemical Properties

ADME

Toxicity

Medical Chemistry

Fungi

Smiles: CCC(C)(C(=O)NC(CCC(=O)N)C(=O)NC(C)(C)C(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)NCC(=O)NC(C)(CC)C(=O)NC(C)(C)C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(CCC(=O)N)C(=O)NC(CC(C)C)CO)NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)CNC(=O)C(C)(C)NC(=O)C
Isomeric smiles: CCC(C)(C(=O)NC(CCC(=O)N)C(=O)NC(C)(C)C(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)NCC(=O)NC(C)(CC)C(=O)NC(C)(C)C(=O)N1CCCC1C(=O)NC(CC(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NC(CCC(=O)N)C(=O)NC(CC(C)C)CO)NC(=O)C(CC(C)C)NC(=O)C(C)NC(=O)CNC(=O)C(C)(C)NC(=O)C
Inchi: InChI=1S/C82H144N20O21/c1-27-81(25,99-65(114)53(38-45(7)8)89-60(109)47(11)87-58(107)40-85-67(116)75(13,14)94-48(12)104)72(121)92-51(32-34-57(84)106)62(111)96-77(17,18)69(118)93-54(39-46(9)10)64(113)97-76(15,16)68(117)86-41-59(108)95-82(26,28-2)73(122)101-80(23,24)74(123)102-35-29-30-55(102)66(115)90-52(37-44(5)6)63(112)98-79(21,22)71(120)100-78(19,20)70(119)91-50(31-33-56(83)105)61(110)88-49(42-103)36-43(3)4/h43-47,49-55,103H,27-42H2,1-26H3,(H2,83,105)(H2,84,106)(H,85,116)(H,86,117)(H,87,107)(H,88,110)(H,89,109)(H,90,115)(H,91,119)(H,92,121)(H,93,118)(H,94,104)(H,95,108)(H,96,111)(H,97,113)(H,98,112)(H,99,114)(H,100,120)(H,101,122)
Inchikey: KHLMTTNTKUDZDO-UHFFFAOYSA-N

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Endpoint	Tool	QSAR ID	Value	Unit	Comments	Reference

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Category	Sub category	Endpoint	Tool	QSAR ID	Value	Unit	Comments	Reference

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Endpoint	Tool	Value	Unit	Comments	Reference

Fungi id	Species
1144	Trichoderma atroviride F80317