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Nostopeptin A

AlkaPlorer ID: AK059993

Synonym: '', 'Nostopeptin A'

IUPAC Name: (4S)-5-[(4S,7S,14S,17S,20S)-14,20-bis[(2S)-butan-2-yl]-22-hydroxy-17-[(4-hydroxyphenyl)methyl]-10,18-dimethyl-4-(2-methylpropyl)-3,6,13,16,19,25-hexaoxo-12-oxa-2,5,8,15,18,21-hexazatricyclo[19.3.1.07,11]pentacosan-8-yl]-4-(butanoylamino)-5-oxopentanamide

Structure

SMILES: CCCC(O)=N[C@@H](CCC(=N)O)C(=O)N1CC(C)C2OC(=O)[C@H]([C@@H](C)CC)N=C(O)[C@H](CC3=CC=C(O)C=C3)N(C)C(=O)[C@H]([C@@H](C)CC)N3C(=O)C(CCC3O)N=C(O)[C@H](CC(C)C)N=C(O)[C@H]21

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InChI: InChI=1S/C48H74N8O12/c1-10-13-36(59)50-31(18-20-35(49)58)45(64)55-24-28(8)41-40(55)44(63)52-33(22-25(4)5)42(61)51-32-19-21-37(60)56(46(32)65)39(27(7)12-3)47(66)54(9)34(23-29-14-16-30(57)17-15-29)43(62)53-38(26(6)11-2)48(67)68-41/h14-17,25-28,31-34,37-41,57,60H,10-13,18-24H2,1-9H3,(H2,49,58)(H,50,59)(H,51,61)(H,52,63)(H,53,62)/t26-,27-,28?,31-,32?,33-,34-,37?,38-,39-,40-,41?/m0/s1

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InChIKey: KKMAWFNZQASNQS-GCSPYRJNSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Nostoc minutum Nostoc Nostocaceae Nostocales Cyanophyceae Cyanobacteriota None Bacteria

Properties Information

Molecule Weight: 955.164

TPSA？: 302.13

MolLogP？: 5.397670000000008

Number of H-Donors: 8

Number of H-Acceptors: 12

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Carica papaya Papain Activity nan None 10.1021/np960649a
Homo sapiens Plasminogen Activity nan None 10.1021/np960649a
Homo sapiens Thrombin Activity nan None 10.1021/np960649a
None Unchecked Activity nan None 10.1021/np070280x
None Unchecked Activity nan None 10.1021/np960649a
None Unchecked IC50 1.3 ug.mL-1 10.1021/np960649a
None Unchecked IC50 1.4 ug.mL-1 10.1021/np960649a
None Unchecked IC50 1470.0 nM 10.1021/np070280x

Metabolism Information