| CAS Number | 79411-15-7 |
| Catalog Number | AG00G2BN(AGN-PC-0UEG0T) |
| Chemical Name | Echinocandin B, 1-[(4R,5R)-4,5-dihydroxy-L-ornithine]- |
| IUPAC Name | 18-amino-6-[1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-11,20,21,25-tetrahydroxy-3,15-bis(1-hydroxyethyl)-26-methyl-1,4,7,13,16,22-hexazatricyclo[22.3.0.09,13]heptacosane-2,5,8,14,17,23-hexone |
| InChI | InChI=1S/C34H51N7O15/c1-12-10-41-24(25(12)47)32(54)39-30(52)20(46)9-18(35)28(50)36-21(13(2)42)33(55)40-11-17(45)8-19(40)29(51)38-23(31(53)37-22(14(3)43)34(41)56)27(49)26(48)15-4-6-16(44)7-5-15/h4-7,12-14,17-27,30,42-49,52H,8-11,35H2,1-3H3,(H,36,50)(H,37,53)(H,38,51)(H,39,54) |
| InChI Key | BLKJKIJFNJAQIZ-UHFFFAOYSA-N |
| MDL Number | MFCD01939342 |
| Molecular Formula | C34H51N7O15 |
| Molecular Weight | 797.8066 |
| SMILES | O=C(C([C@H](O)C)N1)N2[C@](C[C@@H](O)C2)([H])C(NC([C@H](O)[C@@H](O)C3=CC=C(O)C=C3)C(N[C@@H]([C@H](O)C)C(N4[C@]([C@@H](O)[C@@H](C)C4)([H])C(N[C@H](O)[C@H](O)C[C@H](N)C1=O)=O)=O)=O)=O |
| Synonyms | 79411-15-7,
AC-6111,
22,25(9H,25aH)-hexone,
DTXSID40509209,
AKOS015899653,
AN-36548,
I14-11713,
9-Amino-23-[1,2-dihydroxy-2-(4-hydroxyphenyl)ethyl]-2,11,12,15-tetrahydroxy-6,20-bis(1-hydroxyethyl)-16-methylhexadecahydro-1H-dipyrrolo[2,1-c:2',1'-l][1,4,7,10,13,16]hexaazacyclohenicosine-5,8,14,19,,
Echinocandin B,
ACN-036881,
1-[(4R,5R)-4,5-Dihydroxy-L-ornithine]-Echinocandin B,
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