Molecule

stylisin 2

AlkaPlorer ID: AK058636

Synonym: '', 'Stylisin 2'

IUPAC Name: (3S,9S,12S,18S,21S,27S,30S)-27-benzyl-18-[(2S)-butan-2-yl]-9-[(4-hydroxyphenyl)methyl]-1,7,10,16,19,25,28-heptazapentacyclo[28.3.0.03,7.012,16.021,25]tritriacontane-2,8,11,17,20,26,29-heptone

Structure

SMILES: CC[C@H](C)[C@@H]1N=C(O)[C@@H]2CCCN2C(=O)[C@H](CC2=CC=CC=C2)N=C(O)[C@@H]2CCCN2C(=O)[C@@H]2CCCN2C(=O)[C@H](CC2=CC=C(O)C=C2)N=C(O)[C@@H]2CCCN2C1=O

InChI: InChI=1S/C44H57N7O8/c1-3-27(2)37-44(59)50-23-9-14-34(50)39(54)46-32(26-29-17-19-30(52)20-18-29)42(57)51-24-10-16-36(51)43(58)49-22-8-13-33(49)38(53)45-31(25-28-11-5-4-6-12-28)41(56)48-21-7-15-35(48)40(55)47-37/h4-6,11-12,17-20,27,31-37,52H,3,7-10,13-16,21-26H2,1-2H3,(H,45,53)(H,46,54)(H,47,55)/t27-,31-,32-,33-,34-,35-,36-,37-/m0/s1

InChIKey: OKVPFWBESRTMEN-IFUGPJDHSA-N

Reference

Cyclic Heptapeptides from the Jamaican Sponge <i>Stylissa caribica</i>

PubChem CID: 16099461

LOTUS: LTS0034230

SuperNatural Ⅲ: SN0268251-01

NPASS: NPC171

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Magnolia praecocissima	Magnolia	Magnoliaceae	Magnoliales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Didymella lethalis	Didymella	Didymellaceae	Pleosporales	Dothideomycetes	Ascomycota	Fungi	Eukaryota
Sulfurospirillum multivorans	Sulfurospirillum	Sulfurospirillaceae	Campylobacterales	Epsilonproteobacteria	Campylobacterota	None	Bacteria
Streptomyces thioluteus	Streptomyces	Streptomycetaceae	Kitasatosporales	Actinomycetes	Actinomycetota	None	Bacteria
Rhaphiolepis indica	Rhaphiolepis	Rosaceae	Rosales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Veratrum californicum	Veratrum	Melanthiaceae	Liliales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Streptosporangium sibiricum	Streptosporangium	Streptosporangiaceae	Streptosporangiales	Actinomycetes	Actinomycetota	None	Bacteria

Properties Information

Molecule Weight: 811.9809999999999

TPSA？: 199.24

MolLogP？: 4.1764000000000046

Number of H-Donors: 4

Number of H-Acceptors: 8

RingCount: 7

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Aspergillus fumigatus	Aspergillus fumigatus	Activity	None	None	10.1021/np060006n
Candida albicans	Candida albicans	Activity	None	None	10.1021/np060006n
Cryptococcus neoformans	Cryptococcus neoformans	Activity	None	None	10.1021/np060006n
Human immunodeficiency virus 1	Human immunodeficiency virus 1	Activity	None	None	10.1021/np060006n
Mycobacterium intracellulare	Mycobacterium intracellulare	Activity	None	None	10.1021/np060006n
Mycobacterium tuberculosis	Mycobacterium tuberculosis	Activity	None	None	10.1021/np060006n
Plasmodium falciparum	Plasmodium falciparum	Activity	None	None	10.1021/np060006n
Pseudomonas aeruginosa	Pseudomonas aeruginosa	Activity	None	None	10.1021/np060006n
Staphylococcus aureus	Staphylococcus aureus	Activity	None	None	10.1021/np060006n
None	NON-PROTEIN TARGET	Activity	None	None	10.1021/np060006n