(2R)-2-azanyl-5-[[(2R)-1-(carboxymethylamino)-3-[[(1S,2S,3R,7R)-2-(7-methoxy-5-methyl-2-oxidanyl-naphthalen-1-yl)carbonyloxy-3-[(2R,3R,4R,5R,6R)-6-methyl-3-(methylamino)-4,5-bis(oxidanyl)oxan-2-yl]oxy-7-oxidanyl-7-[(4R)-2-oxidanylidene-1,3-dioxolan-4-yl]-2,3-dihydro-1H-s-indacen-1-yl]sulfanyl]-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: (2R)-2-azanyl-5-[[(2R)-1-(carboxymethylamino)-3-[[(1S,2S,3R,7R)-2-(7-methoxy-5-methyl-2-oxidanyl-naphthalen-1-yl)carbonyloxy-3-[(2R,3R,4R,5R,6R)-6-methyl-3-(methylamino)-4,5-bis(oxidanyl)oxan-2-yl]oxy-7-oxidanyl-7-[(4R)-2-oxidanylidene-1,3-dioxolan-4-yl]-2,3-dihydro-1H-s-indacen-1-yl]sulfanyl]-1-oxidanylidene-propan-2-yl]amino]-5-oxidanylidene-pentanoic acid Openeye Name: (2R)-2-amino-5-[[(1R)-2-(carboxymethylamino)-1-[[(1S,2S,3R,7R)-3-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-methyl-3-(methylamino)tetrahydropyran-2-yl]oxy-7-hydroxy-2-(2-hydroxy-7-methoxy-5-methyl-naphthalene-1-carbonyl)oxy-7-[(4R)-2-oxo-1,3-dioxolan-4-yl]-2,3-dihydro-1H-s-indacen-1-yl]sulfanylmethyl]-2-oxo-ethyl]amino]-5-oxo-pentanoic acid CAS Name: (2R)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-[[(1S,2S,3R,7R)-3-[[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-methyl-3-(methylamino)-2-oxanyl]oxy]-7-hydroxy-2-[(2-hydroxy-7-methoxy-5-methyl-1-naphthalenyl)-oxomethoxy]-7-[(4R)-2-oxo-1,3-dioxolan-4-yl]-2,3-dihydro-1H-s-indacen-1-yl]thio]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid IUPAC Name: (2R)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-[[(1S,2S,3R,7R)-3-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-methyl-3-(methylamino)oxan-2-yl]oxy-7-hydroxy-2-(2-hydroxy-7-methoxy-5-methylnaphthalene-1-carbonyl)oxy-7-[(4R)-2-oxo-1,3-dioxolan-4-yl]-2,3-dihydro-1H-s-indacen-1-yl]sulfanyl]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid Traditional Name: (2R)-2-amino-5-[[(1R)-2-(carboxymethylamino)-1-[[[(1S,2S,3R,7R)-3-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-methyl-3-(methylamino)tetrahydropyran-2-yl]oxy-7-hydroxy-2-(2-hydroxy-7-methoxy-5-methyl-1-naphthoyl)oxy-7-[(4R)-2-keto-1,3-dioxolan-4-yl]-2,3-dihydro-1H-s-indacen-1-yl]thio]methyl]-2-keto-ethyl]amino]-5-keto-valeric acid Formula: C45H52N4O18S MolecularWeight: 968.97538

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(C(C(C(O1)OC2C(C(C3=C2C=C4C=CC(C4=C3)(C5COC(=O)O5)O)SCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)N)OC(=O)C6=C(C=CC7=C(C=C(C=C76)OC)C)O)NC)O)O

Isomeric SMILES

C[C@@H]1[C@@H]([C@@H]([C@H]([C@H](O1)O[C@H]2[C@@H]([C@H](C3=C2C=C4C=C[C@@](C4=C3)([C@H]5COC(=O)O5)O)SC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@H](C(=O)O)N)OC(=O)C6=C(C=CC7=C(C=C(C=C76)OC)C)O)NC)O)O

InChI

InChI=1S/C45H52N4O18S/c1-18-11-21(62-4)13-23-22(18)5-7-29(50)33(23)42(59)66-38-37(67-43-34(47-3)36(55)35(54)19(2)64-43)24-12-20-9-10-45(61,30-16-63-44(60)65-30)26(20)14-25(24)39(38)68-17-28(40(56)48-15-32(52)53)49-31(51)8-6-27(46)41(57)58/h5,7,9-14,19,27-28,30,34-39,43,47,50,54-55,61H,6,8,15-17,46H2,1-4H3,(H,48,56)(H,49,51)(H,52,53)(H,57,58)/t19-,27-,28+,30-,34-,35+,36-,37-,38+,39+,43-,45-/m1/s1