(3S,9S,12S,15S,20aS)-3-(hydroxymethyl)-12-isopropyl-9,15-bis(2-methylpropyl)-tetradecahydropyrrolo[1,2-a]1,4,7,10,13,16-hexaazacyclooctadecane-1,4,7,10,13,16-hexone
AlkaPlorer ID: AK053986
Synonym: None
IUPAC Name: (3S,6S,9S,15S,18S)-15-(hydroxymethyl)-3,9-bis(2-methylpropyl)-6-propan-2-yl-1,4,7,10,13,16-hexazabicyclo[16.3.0]henicosane-2,5,8,11,14,17-hexone
Structure
SMILES: CC(C)C[C@@H]1NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)[C@H](C(C)C)NC1=O
InChI: InChI=1S/C27H46N6O7/c1-14(2)10-17-24(37)32-22(16(5)6)26(39)30-18(11-15(3)4)27(40)33-9-7-8-20(33)25(38)31-19(13-34)23(36)28-12-21(35)29-17/h14-20,22,34H,7-13H2,1-6H3,(H,28,36)(H,29,35)(H,30,39)(H,31,38)(H,32,37)/t17-,18-,19-,20-,22-/m0/s1
InChIKey: AGPIOXWTGKGPPK-HVAMYJMISA-N
Reference
Cyclonatsudamine A, a new vasodilator cyclic peptide from Citrus natsudaidai
PubChem CID: 11092968
LOTUS: LTS0151202
SuperNatural Ⅲ: SN0005095-01
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Citrus natsudaidai | Citrus | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 566.7000000000004
TPSA？: 186.04
MolLogP？: -1.2130999999999903
Number of H-Donors: 6
Number of H-Acceptors: 7
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|