[2,3-bis[(2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]-6-methoxy-5-methylsulfonyloxy-oxan-4-yl] methanesulfonate

Systemtic Name: [2,3-bis[(2S)-2-azanyl-5-[bis(azanyl)methylideneamino]pentanoyl]-6-methoxy-5-methylsulfonyloxy-oxan-4-yl] methanesulfonate Openeye Name: [2,3-bis[(2S)-2-amino-5-guanidino-pentanoyl]-6-methoxy-5-methylsulfonyloxy-tetrahydropyran-4-yl] methanesulfonate CAS Name: methanesulfonic acid [2,3-bis[(2S)-2-amino-5-(diaminomethylideneamino)-1-oxopentyl]-6-methoxy-5-methylsulfonyloxy-4-oxanyl] ester IUPAC Name: [2,3-bis[(2S)-2-amino-5-(diaminomethylideneamino)pentanoyl]-6-methoxy-5-methylsulfonyloxyoxan-4-yl] methanesulfonate Traditional Name: methanesulfonic acid [2,3-bis[(2S)-2-amino-5-guanidino-pentanoyl]-6-methoxy-5-methylsulfonyloxy-tetrahydropyran-4-yl] ester Formula: C20H40N8O10S2 MolecularWeight: 616.7092

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Descriptors Computed from Structure

Canonical SMILES:

COC1C(C(C(C(O1)C(=O)C(CCCN=C(N)N)N)C(=O)C(CCCN=C(N)N)N)OS(=O)(=O)C)OS(=O)(=O)C

Isomeric SMILES

COC1C(C(C(C(O1)C(=O)[C@H](CCCN=C(N)N)N)C(=O)[C@H](CCCN=C(N)N)N)OS(=O)(=O)C)OS(=O)(=O)C

InChI

InChI=1S/C20H40N8O10S2/c1-35-18-17(38-40(3,33)34)16(37-39(2,31)32)12(13(29)10(21)6-4-8-27-19(23)24)15(36-18)14(30)11(22)7-5-9-28-20(25)26/h10-12,15-18H,4-9,21-22H2,1-3H3,(H4,23,24,27)(H4,25,26,28)/t10-,11-,12?,15?,16?,17?,18?/m0/s1