Navigation

name Structure Reference Source Properties Activities Metabolism

9-(1-hydroxyethyl)-6-[(1H-indol-3-yl)methyl]-12-methyl-3,15-bis(2-methylpropyl)-18-(propan-2-yl)-1,4,7,10,13,16,19-heptaazacyclohenicosane-2,5,8,11,14,17,20-heptone

AlkaPlorer ID: AK460480

Synonym: None

IUPAC Name: (3S,6S,9S,12S,15S,18S)-9-[(1R)-1-hydroxyethyl]-6-(1H-indol-3-ylmethyl)-12-methyl-3,15-bis(2-methylpropyl)-18-propan-2-yl-1,4,7,10,13,16,19-heptazacyclohenicosane-2,5,8,11,14,17,20-heptone

Structure

SMILES: CC(C)C[C@@H]1N=C(O)[C@H](CC2=CNC3=CC=CC=C23)N=C(O)[C@H]([C@@H](C)O)N=C(O)[C@H](C)N=C(O)[C@H](CC(C)C)N=C(O)[C@H](C(C)C)N=C(O)CN=C1O

copy

InChI: InChI=1S/C37H56N8O8/c1-18(2)13-26-33(49)39-17-29(47)44-30(20(5)6)36(52)42-27(14-19(3)4)34(50)40-21(7)32(48)45-31(22(8)46)37(53)43-28(35(51)41-26)15-23-16-38-25-12-10-9-11-24(23)25/h9-12,16,18-22,26-28,30-31,38,46H,13-15,17H2,1-8H3,(H,39,49)(H,40,50)(H,41,51)(H,42,52)(H,43,53)(H,44,47)(H,45,48)/t21-,22+,26-,27-,28-,30-,31-/m0/s1

copy

InChIKey: MTVNSUHXQHDCGQ-IZBCEWSBSA-N

copy

Source

Species Genus Family Order Class Phylum Kingdom Domain

Properties Information

Molecule Weight: 740.903

TPSA？: 264.1499999999999

MolLogP？: 5.780000000000005

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