O1-[(3R)-4-[[3-[2-[2-[[(2R,3S,4R,5R,6R)-5-azanyl-6-[(1R,2R,3S,4R,6S)-4,6-bis(azanyl)-2,3-bis(oxidanyl)cyclohexyl]oxy-3,4-bis(oxidanyl)oxan-2-yl]methylamino]-2-oxidanylidene-ethyl]sulfanylethylamino]-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] O3-tert-butyl propanedioate

Systemtic Name: O1-[(3R)-4-[[3-[2-[2-[[(2R,3S,4R,5R,6R)-5-azanyl-6-[(1R,2R,3S,4R,6S)-4,6-bis(azanyl)-2,3-bis(oxidanyl)cyclohexyl]oxy-3,4-bis(oxidanyl)oxan-2-yl]methylamino]-2-oxidanylidene-ethyl]sulfanylethylamino]-3-oxidanylidene-propyl]amino]-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-butyl] O3-tert-butyl propanedioate Openeye Name: O1-[(3R)-4-[[3-[2-[2-[[(2R,3S,4R,5R,6R)-5-amino-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxy-cyclohexoxy]-3,4-dihydroxy-tetrahydropyran-2-yl]methylamino]-2-oxo-ethyl]sulfanylethylamino]-3-oxo-propyl]amino]-3-hydroxy-2,2-dimethyl-4-oxo-butyl] O3-tert-butyl propanedioate CAS Name: propanedioic acid O1-[(3R)-4-[[3-[2-[[2-[[(2R,3S,4R,5R,6R)-5-amino-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy-3,4-dihydroxy-2-oxanyl]methylamino]-2-oxoethyl]thio]ethylamino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl] ester O3-tert-butyl ester IUPAC Name: 1-O-[(3R)-4-[[3-[2-[2-[[(2R,3S,4R,5R,6R)-5-amino-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl]oxy-3,4-dihydroxyoxan-2-yl]methylamino]-2-oxoethyl]sulfanylethylamino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl] 3-O-tert-butyl propanedioate Traditional Name: malonic acid O1-[(3R)-4-[[3-[2-[[2-[[(2R,3S,4R,5R,6R)-5-amino-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxy-cyclohexoxy]-3,4-dihydroxy-tetrahydropyran-2-yl]methylamino]-2-keto-ethyl]thio]ethylamino]-3-keto-propyl]amino]-3-hydroxy-4-keto-2,2-dimethyl-butyl] ester O3-tert-butyl ester Formula: C32H58N6O14S MolecularWeight: 782.89972

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC(=O)OCC(C)(C)C(C(=O)NCCC(=O)NCCSCC(=O)NCC1C(C(C(C(O1)OC2C(CC(C(C2O)O)N)N)N)O)O)O

Isomeric SMILES

CC(C)(C)OC(=O)CC(=O)OCC(C)(C)[C@H](C(=O)NCCC(=O)NCCSCC(=O)NC[C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O[C@@H]2[C@H](C[C@H]([C@@H]([C@H]2O)O)N)N)N)O)O)O

InChI

InChI=1S/C32H58N6O14S/c1-31(2,3)52-21(42)11-20(41)49-14-32(4,5)28(47)29(48)37-7-6-18(39)36-8-9-53-13-19(40)38-12-17-24(44)25(45)22(35)30(50-17)51-27-16(34)10-15(33)23(43)26(27)46/h15-17,22-28,30,43-47H,6-14,33-35H2,1-5H3,(H,36,39)(H,37,48)(H,38,40)/t15-,16+,17-,22-,23+,24-,25-,26-,27-,28+,30-/m1/s1