(4S,7R,8S,9S,13Z,15S,16S)-16-[(E)-1-[2-(aminomethyl)-1,3-thiazol-4-yl]prop-1-en-2-yl]-5,5,7,9,15-pentamethyl-4,8-bis(oxidanyl)-1-azacyclohexadec-13-ene-2,6-dione

Systemtic Name: (4S,7R,8S,9S,13Z,15S,16S)-16-[(E)-1-[2-(aminomethyl)-1,3-thiazol-4-yl]prop-1-en-2-yl]-5,5,7,9,15-pentamethyl-4,8-bis(oxidanyl)-1-azacyclohexadec-13-ene-2,6-dione Openeye Name: (4S,7R,8S,9S,13Z,15S,16S)-16-[(E)-2-[2-(aminomethyl)thiazol-4-yl]-1-methyl-vinyl]-4,8-dihydroxy-5,5,7,9,15-pentamethyl-1-azacyclohexadec-13-ene-2,6-dione CAS Name: (4S,7R,8S,9S,13Z,15S,16S)-16-[(E)-1-[2-(aminomethyl)-4-thiazolyl]prop-1-en-2-yl]-4,8-dihydroxy-5,5,7,9,15-pentamethyl-1-azacyclohexadec-13-ene-2,6-dione IUPAC Name: (4S,7R,8S,9S,13Z,15S,16S)-16-[(E)-1-[2-(aminomethyl)-1,3-thiazol-4-yl]prop-1-en-2-yl]-4,8-dihydroxy-5,5,7,9,15-pentamethyl-1-azacyclohexadec-13-ene-2,6-dione Traditional Name: (4S,7R,8S,9S,13Z,15S,16S)-16-[(E)-2-[2-(aminomethyl)thiazol-4-yl]-1-methyl-vinyl]-4,8-dihydroxy-5,5,7,9,15-pentamethyl-1-azacyclohexadec-13-ene-2,6-quinone Formula: C27H43N3O4S MolecularWeight: 505.71302

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC=CC(C(NC(=O)CC(C(C(=O)C(C1O)C)(C)C)O)C(=CC2=CSC(=N2)CN)C)C

Isomeric SMILES

C[C@H]1CCC/C=C\[C@@H]([C@H](NC(=O)C[C@@H](C(C(=O)[C@@H]([C@H]1O)C)(C)C)O)/C(=C/C2=CSC(=N2)CN)/C)C

InChI

InChI=1S/C27H43N3O4S/c1-16-10-8-7-9-11-17(2)25(33)19(4)26(34)27(5,6)21(31)13-22(32)30-24(16)18(3)12-20-15-35-23(14-28)29-20/h8,10,12,15-17,19,21,24-25,31,33H,7,9,11,13-14,28H2,1-6H3,(H,30,32)/b10-8-,18-12+/t16-,17-,19+,21-,24-,25-/m0/s1