Beta-ergocryptam

Formula: C32H41N5O4
Molecular weight: 559.70
Smiles: CCC(C)C1C(=O)N2CCCC2C(=O)N1C(=O)C(C(C)C)NC(=O)C3CN(C4CC5=CNC6=CC=CC(=C56)C4=C3)C

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Beta-ergocryptam

Names

Structural Information

Physico-chemical Properties

ADME

Toxicity

Medical Chemistry

Fungi

Mycotoxin name: Beta-ergocryptam
First synonym: Unii-n0u94ivm3w
Synonyms: UNII-N0U94IVM3W,N0U94IVM3W,Beta-ergocryptam,beta-Ergokryptam,97387-94-5,N-(Lysergyl-valyl)-cyclo(isoleucyl-D-prolyl)

Smiles: CCC(C)C1C(=O)N2CCCC2C(=O)N1C(=O)C(C(C)C)NC(=O)C3CN(C4CC5=CNC6=CC=CC(=C56)C4=C3)C
Isomeric smiles: CC[C@H](C)[C@H]1C(=O)N2CCC[C@@H]2C(=O)N1C(=O)[C@H](C(C)C)NC(=O)[C@H]3CN([C@@H]4CC5=CNC6=CC=CC(=C56)C4=C3)C
Inchi: InChI=1S/C32H41N5O4/c1-6-18(4)28-32(41)36-12-8-11-24(36)30(39)37(28)31(40)27(17(2)3)34-29(38)20-13-22-21-9-7-10-23-26(21)19(15-33-23)14-25(22)35(5)16-20/h7,9-10,13,15,17-18,20,24-25,27-28,33H,6,8,11-12,14,16H2,1-5H3,(H,34,38)/t18-,20+,24+,25+,27-,28-/m0/s1
Inchikey: HKVSEIVDIONNKB-CLWGGANZSA-N

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Fungi id	Species
367	Claviceps purpurea