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n-(1-{2-[(1-{[1-({1-[2-({1-[(1-{2-[(1-{[1-(acetyloxy)-4-methylpentan-2-yl]-c-hydroxycarbonimidoyl}-2-methylpropyl)-c-hydroxycarbonimidoyl]pyrrolidin-1-yl}-2-methyl-1-oxopropan-2-yl)-c-hydroxycarbonimidoyl]ethyl}-c-hydroxycarbonimidoyl)pyrrolidin-1-yl]-2-methyl-1-oxopropan-2-yl}-c-hydroxycarbonimidoyl)-3-methylbutyl]-c-hydroxycarbonimidoyl}-1-methylethyl)-c-hydroxycarbonimidoyl]pyrrolidin-1-yl}-2-methyl-1-oxopropan-2-yl)-2-[(1-hydroxyethylidene)amino]-4-methylpentanimidic acid

AlkaPlorer ID: AK000262

Synonym: 'Cervinin 59-acetate', 'N-(1-{2-(1-{1-({1-2-({1-(1-{2-(1-{1-(acetyloxy)-4-methylpentan-2-yl-C-hydroxycarbonimidoyl}-2-methylpropyl)-C-hydroxycarbonimidoylpyrrolidin-1-yl}-2-methyl-1-oxopropan-2-yl)-C-hydroxycarbonimidoylethyl}-C-hydroxycarbonimidoyl)pyrrolidin-1-yl-2-methyl-1-oxopropan-2-yl}-C-hydroxycarbonimidoyl)-3-methylbutyl-C-hydroxycarbonimidoyl}-1-methylethyl)-C-hydroxycarbonimidoylpyrrolidin-1-yl}-2-methyl-1-oxopropan-2-yl)-2-(1-hydroxyethylidene)amino-4-methylpentanimidic acid'

IUPAC Name: [(2S)-2-[[(2S)-2-[[(2S)-1-[2-[[(2S)-2-[[(2S)-1-[2-[[(2S)-2-[[2-[[(2S)-1-[2-[[(2S)-2-acetamido-4-methylpentanoyl]amino]-2-methylpropanoyl]pyrrolidine-2-carbonyl]amino]-2-methylpropanoyl]amino]-4-methylpentanoyl]amino]-2-methylpropanoyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-2-methylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoyl]amino]-4-methylpentyl] acetate

Structure

SMILES: CC(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N1CCC[C@H]1C(=O)NC(C)(C)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C)C(=O)NC(C)(C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@H](COC(C)=O)CC(C)C)C(C)C

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InChI: InChI=1S/C61H104N12O14/c1-33(2)29-40(32-87-39(11)75)64-53(82)46(36(7)8)66-51(80)44-24-21-27-72(44)55(84)59(14,15)67-47(76)37(9)62-50(79)43-23-20-26-71(43)56(85)60(16,17)69-49(78)42(31-35(5)6)65-54(83)58(12,13)70-52(81)45-25-22-28-73(45)57(86)61(18,19)68-48(77)41(30-34(3)4)63-38(10)74/h33-37,40-46H,20-32H2,1-19H3,(H,62,79)(H,63,74)(H,64,82)(H,65,83)(H,66,80)(H,67,76)(H,68,77)(H,69,78)(H,70,81)/t37-,40-,41-,42-,43-,44-,45-,46-/m0/s1

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InChIKey: FNNLNLFVCDKLRI-DWJOKSQOSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain

Properties Information

Molecule Weight: 1229.572999999999

TPSA？: 349.12999999999994

MolLogP？: 1.3597999999999928

Number of H-Donors: 9

Number of H-Acceptors: 14

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Bacillus subtilis Bacillus subtilis IZ 11.0 mm 10.1021/np0302899
Brevibacillus brevis Brevibacillus brevis IZ 10.0 mm 10.1021/np0302899
Micrococcus luteus Micrococcus luteus IZ 16.0 mm 10.1021/np0302899
Mus musculus L1210 IC50 32.0 ug.mL-1 10.1021/np0302899
None NON-PROTEIN TARGET IC50 40.0 ug.mL-1 10.1021/np0302899

Metabolism Information