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name Structure Reference Source Properties Activities Metabolism

(4S)-5-[(1S,4S,7S,10S,11R,14S,17S,20S,22S)-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-hexaazatricyclo[19.3.1.0⁷,¹¹]pentacosan-8-yl]-4-acetamido-5-oxope

AlkaPlorer ID: AK502135

Synonym: None

IUPAC Name: (4S)-4-acetamido-5-[(1S,4S,7S,10S,11S,14S,17S,20S,22R)-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]-5-oxopentanamide

Structure

SMILES: CC[C@H](C)[C@@H]1N=C(O)[C@H](CC2=CC=C(O)C=C2)N(C)C(=O)[C@H]([C@@H](C)CC)N2C(=O)[C@H](CC[C@H]2O)N=C(O)[C@H](CC(C)C)N=C(O)[C@@H]2[C@@H](OC1=O)[C@@H](C)CN2C(=O)[C@H](CCC(=N)O)N=C(C)O

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InChI: InChI=1S/C46H70N8O12/c1-10-24(5)36-46(65)66-39-26(7)22-53(43(62)30(48-27(8)55)16-18-34(47)57)38(39)42(61)50-32(20-23(3)4)40(59)49-31-17-19-35(58)54(44(31)63)37(25(6)11-2)45(64)52(9)33(41(60)51-36)21-28-12-14-29(56)15-13-28/h12-15,23-26,30-33,35-39,56,58H,10-11,16-22H2,1-9H3,(H2,47,57)(H,48,55)(H,49,59)(H,50,61)(H,51,60)/t24-,25-,26-,30-,31-,32-,33-,35+,36-,37-,38-,39-/m0/s1

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InChIKey: QMXYZAMGCKYKHQ-PYYLCICISA-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: 927.11

TPSA？: 302.13

MolLogP？: 4.617470000000007

Number of H-Donors: 8

Number of H-Acceptors: 12

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information