21978C2(D-Asn11)
AlkaPlorer ID: AK010644
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-methylundecylidene)amino]-3-(1H-indol-3-yl)propylidene]amino]-4-iminobutylidene]amino]-4-hydroxybutanoic acid
Structure
SMILES: CC(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/C75H106N18O26/c1-36(2)17-10-8-6-7-9-11-23-56(97)85-46(26-40-33-80-44-21-15-13-18-41(40)44)69(112)88-48(29-55(79)96)70(113)90-51(32-62(106)107)72(115)93-64-39(5)119-75(118)52(27-53(94)42-19-12-14-20-43(42)77)91-74(117)63(37(3)25-59(100)101)92-71(114)47(28-54(78)95)86-58(99)34-81-66(109)49(30-60(102)103)87-65(108)38(4)83-68(111)50(31-61(104)105)89-67(110)45(22-16-24-76)84-57(98)35-82-73(64)116/h12-15,18-21,33,36-39,45-52,63-64,80H,6-11,16-17,22-32,34-35,76-77H2,1-5H3,(H2,78,95)(H2,79,96)(H,81,109)(H,82,116)(H,83,111)(H,84,98)(H,85,97)(H,86,99)(H,87,108)(H,88,112)(H,89,110)(H,90,113)(H,91,117)(H,92,114)(H,93,115)(H,100,101)(H,102,103)(H,104,105)(H,106,107)/t37?,38-,39+,45+,46+,47-,48-,49+,50+,51+,52+,63+,64+/m1/s1
InChIKey: XWXIXPWFHRYZNW-GPWJREGUSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 1675.7730000000004
TPSA？: 772.2300000000004
MolLogP？: 7.921240000000008
Number of H-Donors: 24
Number of H-Acceptors: 24
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|