Phoriospongin B
AlkaPlorer ID: AK048105
Synonym: '(+)-Phoriospongin B', '(+)-Phoriospongin A', 'Phoriospongin A'
IUPAC Name: (2R)-N-[(3R,9S,12R,15R,18R,21R,24R,28R,29R,30R)-15-(2-amino-2-oxoethyl)-9-benzyl-18-[(2S,3S)-3-chlorobutan-2-yl]-28-hydroxy-12-[(1R)-1-hydroxyethyl]-22,24,30-trimethyl-2,5,8,11,14,17,20,23,26-nonaoxo-3,21-dipropyl-1-oxa-4,7,10,13,16,19,22,25-octazacyclotriacont-29-yl]-2-formamido-4-methylpentanamide
Structure
SMILES: CCC[C@@H]1C(O)=N[C@H]([C@H](C)[C@H](C)Cl)C(O)=N[C@H](CC(=N)O)C(O)=N[C@H]([C@@H](C)O)C(O)=N[C@@H](CC2=CC=CC=C2)C(O)=NCC(O)=N[C@H](CCC)C(=O)O[C@H](C)[C@H](N=C(O)[C@@H](CC(C)C)N=CO)[C@H](O)CC(O)=N[C@H](C)C(=O)N1C
InChI: InChI=1S/C52H82ClN11O15/c1-11-16-33-52(78)79-31(9)44(63-46(72)34(56-25-65)20-26(3)4)38(67)23-40(69)57-29(7)51(77)64(10)37(17-12-2)48(74)61-42(27(5)28(6)53)49(75)60-36(22-39(54)68)47(73)62-43(30(8)66)50(76)59-35(21-32-18-14-13-15-19-32)45(71)55-24-41(70)58-33/h13-15,18-19,25-31,33-38,42-44,66-67H,11-12,16-17,20-24H2,1-10H3,(H2,54,68)(H,55,71)(H,56,65)(H,57,69)(H,58,70)(H,59,76)(H,60,75)(H,61,74)(H,62,73)(H,63,72)/t27-,28+,29-,30-,31-,33-,34-,35+,36-,37-,38-,42-,43-,44+/m1/s1
InChIKey: JKJFLNUKQVXKOI-MJUBQDRISA-N
Source
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Properties Information
Molecule Weight: 1136.7429999999997
TPSA？: 424.4600000000001
MolLogP？: 6.175270000000014
Number of H-Donors: 13
Number of H-Acceptors: 15
RingCount: 2
Activities Information
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