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Marinomonasin

AlkaPlorer ID: AK328273

Synonym: None

IUPAC Name: 2-[[2-[[6-amino-2-[[5-amino-2-[[7-[2-[[5-amino-2-[(2-amino-3-methylbutanoyl)amino]-5-oxopentanoyl]amino]propanoylamino]-30-(carboxymethyl)-21-(1-hydroxyethyl)-8-methyl-3,6,10,14,17,20,23,26,29,32,35,41,46-tridecaoxo-27-propan-2-yl-33-(sulfanylmethyl)-9-oxa-2,5,13,16,19,22,25,28,31,34,40,47-dodecazatricyclo[22.11.8.84,15]henpentacontane-12-carbonyl]amino]-5-oxopentanoyl]amino]hexanoyl]amino]acetyl]amino]pentanedioic acid

Structure

SMILES: CC(NC(=O)C(CCC(N)=O)NC(=O)C(N)C(C)C)C(=O)NC1C(=O)NC2CCCCNC(=O)CCC(NC(=O)CNC(=O)C(C(C)O)NC(=O)C3CCC(=O)NCCCCC(NC2=O)C(=O)NC(CS)C(=O)NC(CC(=O)O)C(=O)NC(C(C)C)C(=O)N3)C(=O)NC(C(=O)NC(CCC(N)=O)C(=O)NC(CCCCN)C(=O)NCC(=O)NC(CCC(=O)O)C(=O)O)CC(=O)OC1C

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InChI: InChI=1S/C79H127N23O30S/c1-35(2)60(83)75(126)94-44(17-22-51(81)104)66(117)88-37(5)64(115)102-63-39(7)132-59(114)31-49(72(123)93-45(18-23-52(82)105)70(121)91-40(14-8-11-27-80)65(116)86-32-56(109)90-47(79(130)131)21-26-57(110)111)98-69(120)43-19-24-53(106)84-29-13-10-16-42(95-78(63)129)67(118)92-41-15-9-12-28-85-54(107)25-20-46(71(122)101-62(38(6)103)76(127)87-33-55(108)89-43)96-77(128)61(36(3)4)100-73(124)48(30-58(112)113)97-74(125)50(34-133)99-68(41)119/h35-50,60-63,103,133H,8-34,80,83H2,1-7H3,(H2,81,104)(H2,82,105)(H,84,106)(H,85,107)(H,86,116)(H,87,127)(H,88,117)(H,89,108)(H,90,109)(H,91,121)(H,92,118)(H,93,123)(H,94,126)(H,95,129)(H,96,128)(H,97,125)(H,98,120)(H,99,119)(H,100,124)(H,101,122)(H,102,115)(H,110,111)(H,112,113)(H,130,131)

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InChIKey: XDUDHONAEWDJOC-UHFFFAOYSA-N

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Properties Information

Molecule Weight: 1911.083000000001

TPSA？: 849.5500000000002

MolLogP？: -11.959299999999908

Number of H-Donors: 28

Number of H-Acceptors: 30

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information