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None

AlkaPlorer ID: AK494099

Synonym: None

IUPAC Name: (3S)-4-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-[[2-[[(2S,3R)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]-4-oxobutanoic acid

Structure

SMILES: CSCC[C@H](N=C(O)[C@H](CC(C)C)N=C(O)CN=C(O)[C@H](CC1=CC=C(O)C=C1)N=C(O)[C@H](CC1=CC=CC=C1)N=C(O)[C@H](CCCCN)N=C(O)[C@H](CC(=O)O)N=C(O)CN=C(O)[C@@H](N=C(O)[C@@H](N)CC(=N)O)[C@@H](C)O)C(=N)O

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InChI: InChI=1S/C51H77N13O15S/c1-27(2)20-35(48(76)60-33(44(55)72)17-19-80-4)58-40(68)25-56-46(74)36(22-30-13-15-31(66)16-14-30)62-49(77)37(21-29-10-6-5-7-11-29)63-47(75)34(12-8-9-18-52)61-50(78)38(24-42(70)71)59-41(69)26-57-51(79)43(28(3)65)64-45(73)32(53)23-39(54)67/h5-7,10-11,13-16,27-28,32-38,43,65-66H,8-9,12,17-26,52-53H2,1-4H3,(H2,54,67)(H2,55,72)(H,56,74)(H,57,79)(H,58,68)(H,59,69)(H,60,76)(H,61,78)(H,62,77)(H,63,75)(H,64,73)(H,70,71)/t28-,32+,33+,34+,35+,36+,37+,38+,43+/m1/s1

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InChIKey: PTYGRHMEBKSLJX-FBCVKHONSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Aedes aegypti Aedes Culicidae Diptera Insecta Arthropoda Metazoa Eukaryota

Properties Information

Molecule Weight: 1144.3199999999997

TPSA？: 511.2700000000002

MolLogP？: 4.937740000000011

Number of H-Donors: 18

Number of H-Acceptors: 17

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information