Antibiotic Bu 2841-08
AlkaPlorer ID: AK082604
Synonym: Bu 2841-08
IUPAC Name: 2-[6,30-bis(2-aminoethyl)-21-(2-amino-2-oxoethyl)-3-benzyl-9-butan-2-yl-18-(carboxymethyl)-33-[[3-hydroxy-2-(3-hydroxydecanoylamino)propanoyl]amino]-12-(1H-indol-3-ylmethyl)-34-methyl-2,5,8,11,14,17,20,23,26,29,32-undecaoxo-1-oxa-4,7,10,13,16,19,22,25,28,31-decazacyclotetratriacont-27-yl]acetic acid
Structure
SMILES: CCCCCCCC(O)CC(=O)NC(CO)C(=O)NC1C(=O)NC(CCN)C(=O)NC(CC(=O)O)C(=O)NCC(=O)NC(CC(N)=O)C(=O)NC(CC(=O)O)C(=O)NCC(=O)NC(CC2=CNC3=CC=CC=C23)C(=O)NC(C(C)CC)C(=O)NC(CCN)C(=O)NC(CC2=CC=CC=C2)C(=O)OC1C
InChI: InChI=1S/C67H98N16O21/c1-5-7-8-9-13-18-39(85)27-51(87)76-49(34-84)64(100)83-57-36(4)104-67(103)48(25-37-16-11-10-12-17-37)81-61(97)43(22-24-69)77-65(101)56(35(3)6-2)82-63(99)44(26-38-31-71-41-20-15-14-19-40(38)41)74-52(88)32-72-59(95)47(30-55(92)93)80-62(98)45(28-50(70)86)75-53(89)33-73-58(94)46(29-54(90)91)79-60(96)42(21-23-68)78-66(57)102/h10-12,14-17,19-20,31,35-36,39,42-49,56-57,71,84-85H,5-9,13,18,21-30,32-34,68-69H2,1-4H3,(H2,70,86)(H,72,95)(H,73,94)(H,74,88)(H,75,89)(H,76,87)(H,77,101)(H,78,102)(H,79,96)(H,80,98)(H,81,97)(H,82,99)(H,83,100)(H,90,91)(H,92,93)
InChIKey: BYSSBOZJGMLBPR-UHFFFAOYSA-N
Source
Properties Information
Molecule Weight: 1463.612
TPSA？: 601.4799999999999
MolLogP？: -5.348899999999989
Number of H-Donors: 20
Number of H-Acceptors: 21
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|