(3R,7S,9Z,14S,15R,16R)-2,2,10,14-tetrakis(azanyl)-7-(2-methyl-1,3-benzothiazol-5-yl)-3,15-bis(oxidanyl)-16-prop-2-enyl-cyclohexadec-9-ene-1,5-dione

Systemtic Name: (3R,7S,9Z,14S,15R,16R)-2,2,10,14-tetrakis(azanyl)-7-(2-methyl-1,3-benzothiazol-5-yl)-3,15-bis(oxidanyl)-16-prop-2-enyl-cyclohexadec-9-ene-1,5-dione Openeye Name: (3R,7S,9Z,14S,15R,16R)-16-allyl-2,2,10,14-tetraamino-3,15-dihydroxy-7-(2-methyl-1,3-benzothiazol-5-yl)cyclohexadec-9-ene-1,5-dione CAS Name: (3R,7S,9Z,14S,15R,16R)-2,2,10,14-tetraamino-3,15-dihydroxy-7-(2-methyl-1,3-benzothiazol-5-yl)-16-prop-2-enylcyclohexadec-9-ene-1,5-dione IUPAC Name: (3R,7S,9Z,14S,15R,16R)-2,2,10,14-tetraamino-3,15-dihydroxy-7-(2-methyl-1,3-benzothiazol-5-yl)-16-prop-2-enylcyclohexadec-9-ene-1,5-dione Traditional Name: (3R,7S,9Z,14S,15R,16R)-16-allyl-2,2,10,14-tetraamino-3,15-dihydroxy-7-(2-methyl-1,3-benzothiazol-5-yl)cyclohexadec-9-ene-1,5-quinone Formula: C27H39N5O4S MolecularWeight: 529.69466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=CC(=C2)C3CC=C(CCCC(C(C(C(=O)C(C(CC(=O)C3)O)(N)N)CC=C)O)N)N

Isomeric SMILES

CC1=NC2=C(S1)C=CC(=C2)[C@H]3C/C=C(/CCC[C@@H]([C@@H]([C@H](C(=O)C([C@@H](CC(=O)C3)O)(N)N)CC=C)O)N)\N

InChI

InChI=1S/C27H39N5O4S/c1-3-5-20-25(35)21(29)7-4-6-18(28)10-8-16(12-19(33)14-24(34)27(30,31)26(20)36)17-9-11-23-22(13-17)32-15(2)37-23/h3,9-11,13,16,20-21,24-25,34-35H,1,4-8,12,14,28-31H2,2H3/b18-10-/t16-,20+,21-,24+,25+/m0/s1