[(3R,4R,7S,10S,13R,16S,19S,25S,28S,33aS)-25-(3-carbamimidamidopropyl)-19-(2-carbamoylethyl)-16,28-bis(carbamoylmethyl)-4-hydroxy-7-isopropyl-10,27-dimethyl-1,5,8,11,14,17,20,23,26,29-decaoxo-3-[(2S)-tetradecan-2-yl]-docosahydropyrrolo[2,1-c]1,4,7,10,13,16
AlkaPlorer ID: AK532979
Synonym: None
IUPAC Name: 2-[3,15-bis(2-amino-2-oxoethyl)-12-(3-amino-3-oxopropyl)-6-[3-(diaminomethylideneamino)propyl]-27-hydroxy-4,21-dimethyl-2,5,8,11,14,17,20,23,26,30-decaoxo-24-propan-2-yl-28-tetradecan-2-yl-1,4,7,10,13,16,19,22,25,29-decazabicyclo[29.3.0]tetratriacontan-18-yl]acetic acid
Structure
SMILES: CCCCCCCCCCCCC(C)C1N=C(O)C2CCCN2C(=O)C(CC(=N)O)N(C)C(=O)C(CCCNC(=N)N)N=C(O)CN=C(O)C(CCC(=N)O)N=C(O)C(CC(=N)O)N=C(O)C(CC(=O)O)N=C(O)C(C)N=C(O)C(C(C)C)N=C(O)C1O
InChI: InChI=1S/C56H96N16O16/c1-7-8-9-10-11-12-13-14-15-16-19-31(4)45-46(79)53(86)69-44(30(2)3)52(85)64-32(5)47(80)67-36(27-43(77)78)50(83)68-35(26-40(58)74)49(82)66-33(22-23-39(57)73)48(81)63-29-42(76)65-34(20-17-24-62-56(60)61)54(87)71(6)38(28-41(59)75)55(88)72-25-18-21-37(72)51(84)70-45/h30-38,44-46,79H,7-29H2,1-6H3,(H2,57,73)(H2,58,74)(H2,59,75)(H,63,81)(H,64,85)(H,65,76)(H,66,82)(H,67,80)(H,68,83)(H,69,86)(H,70,84)(H,77,78)(H4,60,61,62)
InChIKey: UAZZFDUYHPLRJY-UHFFFAOYSA-N
Reference
Calophycin, a fungicidal cyclic decapeptide from the terrestrial blue-green alga Calothrix fusca
PubChem CID: 163091553
CAS: 138754-64-0
LOTUS: LTS0249568
COCONUT: CNP0410600.3
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Calothrix fusca | Calothrix | Calotrichaceae | Nostocales | Cyanophyceae | Cyanobacteriota | None | Bacteria |
Properties Information
Molecule Weight: 1249.4799999999996
TPSA？: 553.0100000000002
MolLogP？: 5.9382800000000175
Number of H-Donors: 19
Number of H-Acceptors: 16
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|