(1S,3S,7S,10R,11S,12S,16R)-3-[(E)-1-[2-(aminomethyl)-1,3-thiazol-4-yl]prop-1-en-2-yl]-8,8,10,12-tetramethyl-7,11-bis(oxidanyl)-5,9-bis(oxidanylidene)-4,17-dioxabicyclo[14.1.0]heptadecane-16-carbonitrile

Systemtic Name: (1S,3S,7S,10R,11S,12S,16R)-3-[(E)-1-[2-(aminomethyl)-1,3-thiazol-4-yl]prop-1-en-2-yl]-8,8,10,12-tetramethyl-7,11-bis(oxidanyl)-5,9-bis(oxidanylidene)-4,17-dioxabicyclo[14.1.0]heptadecane-16-carbonitrile Openeye Name: (1S,3S,7S,10R,11S,12S,16R)-3-[(E)-2-[2-(aminomethyl)thiazol-4-yl]-1-methyl-vinyl]-7,11-dihydroxy-8,8,10,12-tetramethyl-5,9-dioxo-4,17-dioxabicyclo[14.1.0]heptadecane-16-carbonitrile CAS Name: (1S,3S,7S,10R,11S,12S,16R)-3-[(E)-1-[2-(aminomethyl)-4-thiazolyl]prop-1-en-2-yl]-7,11-dihydroxy-8,8,10,12-tetramethyl-5,9-dioxo-4,17-dioxabicyclo[14.1.0]heptadecane-16-carbonitrile IUPAC Name: (1S,3S,7S,10R,11S,12S,16R)-3-[(E)-1-[2-(aminomethyl)-1,3-thiazol-4-yl]prop-1-en-2-yl]-7,11-dihydroxy-8,8,10,12-tetramethyl-5,9-dioxo-4,17-dioxabicyclo[14.1.0]heptadecane-16-carbonitrile Traditional Name: (1S,3S,7S,10R,11S,12S,16R)-3-[(E)-2-[2-(aminomethyl)thiazol-4-yl]-1-methyl-vinyl]-7,11-dihydroxy-5,9-diketo-8,8,10,12-tetramethyl-4,17-dioxabicyclo[14.1.0]heptadecane-16-carbonitrile Formula: C27H39N3O6S MolecularWeight: 533.68006

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC2(C(O2)CC(OC(=O)CC(C(C(=O)C(C1O)C)(C)C)O)C(=CC3=CSC(=N3)CN)C)C#N

Isomeric SMILES

C[C@H]1CCC[C@]2([C@@H](O2)C[C@H](OC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C3=CSC(=N3)CN)/C)C#N

InChI

InChI=1S/C27H39N3O6S/c1-15-7-6-8-27(14-29)21(36-27)10-19(16(2)9-18-13-37-22(12-28)30-18)35-23(32)11-20(31)26(4,5)25(34)17(3)24(15)33/h9,13,15,17,19-21,24,31,33H,6-8,10-12,28H2,1-5H3/b16-9+/t15-,17+,19-,20-,21-,24-,27+/m0/s1