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: AK269263
Synonym: None
IUPAC Name: 9-(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)CC1N=C(O)C(CC2=CNC3=CC=CC=C23)N=C(O)C(C(C)O)N=C(O)C(C)N=C(O)C(CC(C)C)N=C(O)C(C(C)C)N=C(O)CN=C1O
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)
InChIKey: MTVNSUHXQHDCGQ-UHFFFAOYSA-N
Reference
Cyclogossine A: A Novel Cyclic Heptapeptide Isolated from the Latex of<i>Jatropha gossypifolia</i>
PubChem CID: 162941555
LOTUS: LTS0236074
COCONUT: CNP0211910
Source
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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 |
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