Scytocyclamide A
AlkaPlorer ID: AK328460
Synonym: None
IUPAC Name: 3-[(6S,16S,19R,22S,25R,28R,31S,34S,36R)-28-benzyl-19,22-bis[(2S)-butan-2-yl]-3-ethylidene-36-hydroxy-31-(2-hydroxyethyl)-16,25-bis(2-methylpropyl)-2,5,8,12,15,18,21,24,27,30,33-undecaoxo-10-pentyl-1,4,7,11,14,17,20,23,26,29,32-undecazabicyclo[32.3.0]heptatriacontan-6-yl]propanamide
Structure
SMILES: CC=C1NC(=O)[C@H](CCC(N)=O)NC(=O)CC(CCCCC)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](CC2=CC=CC=C2)NC(=O)[C@H](CCO)NC(=O)[C@@H]2C[C@@H](O)CN2C1=O
InChI: InChI=1S/C61H98N12O14/c1-11-15-17-22-39-30-49(77)65-42(23-24-48(62)76)54(80)66-41(14-4)61(87)73-33-40(75)31-47(73)58(84)67-43(25-26-74)55(81)69-46(29-38-20-18-16-19-21-38)56(82)68-45(28-35(7)8)57(83)71-52(37(10)13-3)60(86)72-51(36(9)12-2)59(85)70-44(27-34(5)6)53(79)63-32-50(78)64-39/h14,16,18-21,34-37,39-40,42-47,51-52,74-75H,11-13,15,17,22-33H2,1-10H3,(H2,62,76)(H,63,79)(H,64,78)(H,65,77)(H,66,80)(H,67,84)(H,68,82)(H,69,81)(H,70,85)(H,71,83)(H,72,86)/t36-,37-,39?,40+,42-,43-,44-,45+,46+,47-,51+,52-/m0/s1
InChIKey: FXNSTMGRWLTKFF-FVVOUXCPSA-N
Reference
Shared PKS Module in Biosynthesis of Synergistic Laxaphycins
PubChem CID: 169492583
{NPAtlas: NPA033486
Source
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Properties Information
Molecule Weight: 1223.5250000000003
TPSA？: 394.8599999999999
MolLogP？: 0.0217999999999897
Number of H-Donors: 13
Number of H-Acceptors: 14
RingCount: 3
Activities Information
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