21978C1(D-Asn11)
AlkaPlorer ID: AK019309
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-8-methyldecylidene)amino]-3-(1H-indol-3-yl)propylidene]amino]-4-iminobutylidene]amino]-4-hydroxybutanoic acid
Structure
SMILES: CCC(C)CCCCCCC(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/C74H104N18O26/c1-6-35(2)16-9-7-8-10-22-55(96)84-45(25-39-32-79-43-20-14-12-17-40(39)43)68(111)87-47(28-54(78)95)69(112)89-50(31-61(105)106)71(114)92-63-38(5)118-74(117)51(26-52(93)41-18-11-13-19-42(41)76)90-73(116)62(36(3)24-58(99)100)91-70(113)46(27-53(77)94)85-57(98)33-80-65(108)48(29-59(101)102)86-64(107)37(4)82-67(110)49(30-60(103)104)88-66(109)44(21-15-23-75)83-56(97)34-81-72(63)115/h11-14,17-20,32,35-38,44-51,62-63,79H,6-10,15-16,21-31,33-34,75-76H2,1-5H3,(H2,77,94)(H2,78,95)(H,80,108)(H,81,115)(H,82,110)(H,83,97)(H,84,96)(H,85,98)(H,86,107)(H,87,111)(H,88,109)(H,89,112)(H,90,116)(H,91,113)(H,92,114)(H,99,100)(H,101,102)(H,103,104)(H,105,106)/t35?,36?,37-,38+,44+,45+,46-,47-,48+,49+,50+,51+,62+,63+/m1/s1
InChIKey: YWQYYJJPLVGCSY-WPOLFSPWSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 1661.7460000000003
TPSA？: 772.2300000000004
MolLogP？: 7.531140000000006
Number of H-Donors: 24
Number of H-Acceptors: 24
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|