N-formyllapatin A

AlkaPlorer ID: AK120882

Synonym: None

IUPAC Name: (1S,2'S,3'aS,12S,16S)-2'-methyl-1',3,14-trioxospiro[2,10,13-triazatetracyclo[10.2.2.02,11.04,9]hexadeca-4,6,8,10-tetraene-16,4'-2,3a-dihydroimidazo[1,2-a]indole]-3'-carbaldehyde

Structure

SMILES: C[C@H]1C(=O)N2C3=CC=CC=C3[C@]3(C[C@H]4C(=O)N[C@@H]3C3=NC5=CC=CC=C5C(=O)N34)[C@H]2N1C=O

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InChI: InChI=1S/C24H19N5O4/c1-12-21(32)29-16-9-5-3-7-14(16)24(23(29)27(12)11-30)10-17-20(31)26-18(24)19-25-15-8-4-2-6-13(15)22(33)28(17)19/h2-9,11-12,17-18,23H,10H2,1H3,(H,26,31)/t12-,17-,18+,23-,24-/m0/s1

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InChIKey: HPQKYBXWMZPYKB-ZEWIOJHOSA-N

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Source

Properties Information

Molecule Weight: 441.4470000000001

TPSA: 104.61

MolLogP: 0.9833999999999998

Number of H-Donors: 1

Number of H-Acceptors: 6

RingCount: 8

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information