21978C3(D-Asn11)
AlkaPlorer ID: AK019351
Synonym: None
IUPAC Name: (3S)-4-[[(3S,6S,9R,15S,18R,21S,24S,30S,31S)-3-[2-(2-aminophenyl)-2-oxoethyl]-24-(3-aminopropyl)-15,21-bis(carboxymethyl)-6-(1-carboxypropan-2-yl)-5,8,11,14,17,20,23,26,29-nonahydroxy-9-(2-hydroxy-2-iminoethyl)-18,31-dimethyl-2-oxo-1-oxa-4,7,10,13,16,19,22,25,28-nonazacyclohentriaconta-4,7,10,13,16,19,22,25,28-nonaen-30-yl]imino]-3-[[(2R)-1,4-dihydroxy-2-[[(2S)-1-hydroxy-2-[(1-hydroxy-10-methyldodecylidene)amino]-3-(1H-indol-3-yl)propylidene]amino]-4-iminobutylidene]amino]-4-hydroxybutanoic acid
Structure
SMILES: CCC(C)CCCCCCCCC(O)=N[C@@H](CC1=CNC2=CC=CC=C12)C(O)=N[C@H](CC(=N)O)C(O)=N[C@@H](CC(=O)O)C(O)=N[C@@H]1C(O)=NCC(O)=N[C@@H](CCCN)C(O)=N[C@@H](CC(=O)O)C(O)=N[C@H](C)C(O)=N[C@@H](CC(=O)O)C(O)=NCC(O)=N[C@H](CC(=N)O)C(O)=N[C@@H](C(C)CC(=O)O)C(O)=N[C@@H](CC(=O)C2=CC=CC=C2N)C(=O)O[C@H]1C
InChI: InChI=1S/C76H108N18O26/c1-6-37(2)18-11-9-7-8-10-12-24-57(98)86-47(27-41-34-81-45-22-16-14-19-42(41)45)70(113)89-49(30-56(80)97)71(114)91-52(33-63(107)108)73(116)94-65-40(5)120-76(119)53(28-54(95)43-20-13-15-21-44(43)78)92-75(118)64(38(3)26-60(101)102)93-72(115)48(29-55(79)96)87-59(100)35-82-67(110)50(31-61(103)104)88-66(109)39(4)84-69(112)51(32-62(105)106)90-68(111)46(23-17-25-77)85-58(99)36-83-74(65)117/h13-16,19-22,34,37-40,46-53,64-65,81H,6-12,17-18,23-33,35-36,77-78H2,1-5H3,(H2,79,96)(H2,80,97)(H,82,110)(H,83,117)(H,84,112)(H,85,99)(H,86,98)(H,87,100)(H,88,109)(H,89,113)(H,90,111)(H,91,114)(H,92,118)(H,93,115)(H,94,116)(H,101,102)(H,103,104)(H,105,106)(H,107,108)/t37?,38?,39-,40+,46+,47+,48-,49-,50+,51+,52+,53+,64+,65+/m1/s1
InChIKey: LUPZMLZLNCJXSE-FHWNGLMBSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 1689.8000000000002
TPSA？: 772.2300000000004
MolLogP？: 8.311340000000008
Number of H-Donors: 24
Number of H-Acceptors: 24
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|