Viridogrisein I
AlkaPlorer ID: AK003089
Synonym: 'Viridogrisein I', 'Fijimycin A', 'Viridogrisein'
IUPAC Name: 3-hydroxy-N-[(3R,6S,7R,10S,13R,16S,22R,24R)-24-hydroxy-7,11,13,17,20-pentamethyl-16-[(2R)-3-methylbutan-2-yl]-3-(2-methylpropyl)-2,5,9,12,15,18,21-heptaoxo-10-phenyl-8-oxa-1,4,11,14,17,20-hexazabicyclo[20.3.0]pentacosan-6-yl]pyridine-2-carboxamide
Structure
SMILES: CC(C)C[C@H]1N=C(O)[C@@H](N=C(O)C2=C(O)C=CC=N2)[C@@H](C)OC(=O)[C@H](C2=CC=CC=C2)N(C)C(=O)[C@@H](C)N=C(O)[C@H]([C@H](C)C(C)C)N(C)C(=O)CN(C)C(=O)[C@H]2C[C@@H](O)CN2C1=O
InChI: InChI=1S/C44H62N8O11/c1-23(2)19-30-42(60)52-21-29(53)20-31(52)43(61)49(8)22-33(55)50(9)36(25(5)24(3)4)40(58)46-26(6)41(59)51(10)37(28-15-12-11-13-16-28)44(62)63-27(7)34(38(56)47-30)48-39(57)35-32(54)17-14-18-45-35/h11-18,23-27,29-31,34,36-37,53-54H,19-22H2,1-10H3,(H,46,58)(H,47,56)(H,48,57)/t25-,26-,27-,29-,30-,31-,34+,36+,37+/m1/s1
InChIKey: SATIISJKSAELDC-HPGCRTOESA-N
Source
Properties Information
Molecule Weight: 879.0249999999997
TPSA？: 258.66
MolLogP？: 2.8609000000000053
Number of H-Donors: 5
Number of H-Acceptors: 12
RingCount: 4
Activities Information
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