Dihydrospumigin K

AlkaPlorer ID: AK484646

Synonym: None

IUPAC Name: N-[5-(diaminomethylideneamino)-1-hydroxypentan-2-yl]-1-[2-[[2-hydroxy-4-(4-hydroxyphenyl)butanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]-4-methylpyrrolidine-2-carboxamide

Structure

SMILES: CC1CC(C(O)=NC(CO)CCCNC(=N)N)N(C(=O)C(CC2=CC=C(O)C=C2)N=C(O)C(O)CCC2=CC=C(O)C=C2)C1

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InChI: InChI=1S/C31H44N6O7/c1-19-15-26(28(42)35-22(18-38)3-2-14-34-31(32)33)37(17-19)30(44)25(16-21-6-11-24(40)12-7-21)36-29(43)27(41)13-8-20-4-9-23(39)10-5-20/h4-7,9-12,19,22,25-27,38-41H,2-3,8,13-18H2,1H3,(H,35,42)(H,36,43)(H4,32,33,34)

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InChIKey: OYLLIRIQZZWJCJ-UHFFFAOYSA-N

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Properties Information

Molecule Weight: 612.7280000000003

TPSA: 228.31

MolLogP: 1.7767700000000028

Number of H-Donors: 9

Number of H-Acceptors: 8

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information