N-[3-(4-azanylbutylamino)propyl]-2-[2-[2-[5-azanyl-6-methyl-3,4-bis(oxidanyl)oxan-2-yl]oxy-2-[[2-[(4-azanyl-3-oxidanyl-pentanoyl)amino]-3-oxidanyl-butanoyl]amino]-1-oxidanyl-ethyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxamide

Systemtic Name: N-[3-(4-azanylbutylamino)propyl]-2-[2-[2-[5-azanyl-6-methyl-3,4-bis(oxidanyl)oxan-2-yl]oxy-2-[[2-[(4-azanyl-3-oxidanyl-pentanoyl)amino]-3-oxidanyl-butanoyl]amino]-1-oxidanyl-ethyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxamide Openeye Name: N-[3-(4-aminobutylamino)propyl]-2-[2-[2-(5-amino-3,4-dihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-2-[[2-[(4-amino-3-hydroxy-pentanoyl)amino]-3-hydroxy-butanoyl]amino]-1-hydroxy-ethyl]thiazol-4-yl]thiazole-4-carboxamide CAS Name: N-[3-(4-aminobutylamino)propyl]-2-[2-[2-[(5-amino-3,4-dihydroxy-6-methyl-2-oxanyl)oxy]-2-[[2-[(4-amino-3-hydroxy-1-oxopentyl)amino]-3-hydroxy-1-oxobutyl]amino]-1-hydroxyethyl]-4-thiazolyl]-4-thiazolecarboxamide IUPAC Name: N-[3-(4-aminobutylamino)propyl]-2-[2-[2-(5-amino-3,4-dihydroxy-6-methyloxan-2-yl)oxy-2-[[2-[(4-amino-3-hydroxypentanoyl)amino]-3-hydroxybutanoyl]amino]-1-hydroxyethyl]-1,3-thiazol-4-yl]-1,3-thiazole-4-carboxamide Traditional Name: N-[3-(4-aminobutylamino)propyl]-2-[2-[2-(5-amino-3,4-dihydroxy-6-methyl-tetrahydropyran-2-yl)oxy-2-[[2-[(4-amino-3-hydroxy-pentanoyl)amino]-3-hydroxy-butanoyl]amino]-1-hydroxy-ethyl]thiazol-4-yl]thiazole-4-carboxamide Formula: C31H53N9O10S2 MolecularWeight: 775.93682

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OC(C(C2=NC(=CS2)C3=NC(=CS3)C(=O)NCCCNCCCCN)O)NC(=O)C(C(C)O)NC(=O)CC(C(C)N)O)O)O)N

Isomeric SMILES

CC1C(C(C(C(O1)OC(C(C2=NC(=CS2)C3=NC(=CS3)C(=O)NCCCNCCCCN)O)NC(=O)C(C(C)O)NC(=O)CC(C(C)N)O)O)O)N

InChI

InChI=1S/C31H53N9O10S2/c1-14(33)19(42)11-20(43)39-22(15(2)41)27(48)40-28(50-31-24(45)23(44)21(34)16(3)49-31)25(46)30-38-18(13-52-30)29-37-17(12-51-29)26(47)36-10-6-9-35-8-5-4-7-32/h12-16,19,21-25,28,31,35,41-42,44-46H,4-11,32-34H2,1-3H3,(H,36,47)(H,39,43)(H,40,48)