Konbamide
AlkaPlorer ID: AK327167
Synonym: None
IUPAC Name: (2S)-2-[[(6S,9S,12S,15S)-3-[(2-bromo-5-hydroxy-1H-indol-3-yl)methyl]-7,12-dimethyl-6,9-bis(2-methylpropyl)-2,5,8,11,14-pentaoxo-1,4,7,10,13-pentazacyclononadec-15-yl]carbamoylamino]-4-methylpentanoic acid
Structure
SMILES: CC(C)C[C@H](NC(=O)N[C@H]1CCCCNC(=O)C(CC2=C(Br)NC3=CC=C(O)C=C23)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC1=O)C(=O)O
InChI: InChI=1S/C40H61BrN8O9/c1-20(2)15-30-38(55)49(8)32(17-22(5)6)37(54)45-29(19-26-25-18-24(50)12-13-27(25)44-33(26)41)35(52)42-14-10-9-11-28(36(53)43-23(7)34(51)46-30)47-40(58)48-31(39(56)57)16-21(3)4/h12-13,18,20-23,28-32,44,50H,9-11,14-17,19H2,1-8H3,(H,42,52)(H,43,53)(H,45,54)(H,46,51)(H,56,57)(H2,47,48,58)/t23-,28-,29?,30-,31-,32-/m0/s1
InChIKey: NFNPOETXDOOFIQ-CIMYTASASA-N
Reference
An environmental bacterial taxon with a large and distinct metabolic repertoire
PubChem CID: 9988225
{NPAtlas: NPA028603
Source
Properties Information
Molecule Weight: 877.8789999999998
TPSA？: 251.16
MolLogP？: 3.039200000000005
Number of H-Donors: 9
Number of H-Acceptors: 8
RingCount: 3
Activities Information
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