(4S,7R,8S,9S,13Z,15S,16S)-16-[(E)-1-[2-(aminomethyl)-1,3-thiazol-4-yl]prop-1-en-2-yl]-5,5,7,9,13,15-hexamethyl-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]-5,5,7,9,13,15-hexamethyl-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-5,5,7,9,13,15-hexamethyl-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-5,5,7,9,13,15-hexamethyl-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-5,5,7,9,13,15-hexamethyl-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-5,5,7,9,13,15-hexamethyl-1-azacyclohexadec-13-ene-2,6-quinone Formula: C28H45N3O4S MolecularWeight: 519.7396

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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)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)/C

InChI

InChI=1S/C28H45N3O4S/c1-16-9-8-10-17(2)26(34)20(5)27(35)28(6,7)22(32)13-23(33)31-25(18(3)11-16)19(4)12-21-15-36-24(14-29)30-21/h11-12,15,17-18,20,22,25-26,32,34H,8-10,13-14,29H2,1-7H3,(H,31,33)/b16-11-,19-12+/t17-,18-,20+,22-,25-,26-/m0/s1