Molecule

Surugamide A

AlkaPlorer ID: AK007012

Synonym: 'Surugamide A'

IUPAC Name: (3S,6R,9S,12R,15S,18R,21R,24S)-3-(4-aminobutyl)-21-benzyl-9,15,24-tris[(2S)-butan-2-yl]-6-[(2R)-butan-2-yl]-12-methyl-18-(2-methylpropyl)-1,4,7,10,13,16,19,22-octazacyclotetracosane-2,5,8,11,14,17,20,23-octone

Structure

SMILES: CC[C@@H](C)[C@H]1N=C(O)[C@H]([C@@H](C)CC)N=C(O)[C@@H](C)N=C(O)[C@H]([C@@H](C)CC)N=C(O)[C@@H](CC(C)C)N=C(O)[C@@H](CC2=CC=CC=C2)N=C(O)[C@H]([C@@H](C)CC)N=C(O)[C@H](CCCCN)N=C1O

InChI: InChI=1S/C48H81N9O8/c1-12-28(7)37-45(62)50-32(11)41(58)54-40(31(10)15-4)48(65)57-39(30(9)14-3)46(63)51-34(23-19-20-24-49)42(59)55-38(29(8)13-2)47(64)53-36(26-33-21-17-16-18-22-33)43(60)52-35(25-27(5)6)44(61)56-37/h16-18,21-22,27-32,34-40H,12-15,19-20,23-26,49H2,1-11H3,(H,50,62)(H,51,63)(H,52,60)(H,53,64)(H,54,58)(H,55,59)(H,56,61)(H,57,65)/t28-,29-,30+,31-,32+,34-,35+,36+,37-,38-,39+,40-/m0/s1

InChIKey: NPYICXUUGUJPMM-AFDSXNTISA-N

Reference

Surugamides A–E, Cyclic Octapeptides with Four <scp>d</scp>-Amino Acid Residues, from a Marine Streptomyces sp.: LC–MS-Aided Inspection of Partial Hydrolysates for the Distinction of <scp>d</scp>- and <scp>l</scp>-Amino Acid Residues in the Sequence

PubChem CID: 71764189

LOTUS: LTS0201022

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Streptomyces albidoflavus	Streptomyces	Streptomycetaceae	Kitasatosporales	Actinomycetes	Actinomycetota	None	Bacteria

Properties Information

Molecule Weight: 912.2309999999997

TPSA？: 286.74

MolLogP？: 9.222900000000005

Number of H-Donors: 9

Number of H-Acceptors: 9

RingCount: 2

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi