Azetomicin i

Structural Information

Molecular Formula

C₆₁H₈₄N₁₂O₁₆

SMILES

C[C@@H]1[C@@H](C(=O)N[C@@H](C(=O)N2CCC[C@H]2C(=O)N(CC(=O)N([C@H](C(=O)O1)C(C)C)C)C)C(C)C)NC(=O)C3=C4C(=C(C=C3)C)OC5=C(C(=O)C(=C(C5=N4)C(=O)N[C@H]6[C@H](OC(=O)[C@@H](N(C(=O)CN(C(=O)[C@@H]7CCN7C(=O)[C@@H](NC6=O)C(C)C)C)C)C(C)C)C)N)C

InChI

InChI=1S/C61H84N12O16/c1-26(2)41-58(83)72-22-17-18-35(72)56(81)68(13)24-37(74)70(15)47(28(5)6)60(85)87-32(11)43(54(79)64-41)66-52(77)34-20-19-30(9)50-45(34)63-46-39(40(62)49(76)31(10)51(46)89-50)53(78)67-44-33(12)88-61(86)48(29(7)8)71(16)38(75)25-69(14)57(82)36-21-23-73(36)59(84)42(27(3)4)65-55(44)80/h19-20,26-29,32-33,35-36,41-44,47-48H,17-18,21-25,62H2,1-16H3,(H,64,79)(H,65,80)(H,66,77)(H,67,78)/t32-,33-,35+,36+,41-,42+,43+,44+,47+,48+/m1/s1

InChIKey

BVPWSRPVKLEVKE-YYPSEWRFSA-N

Compound name

2-amino-4,6-dimethyl-3-oxo-9-N-[(3R,6S,7R,10S,16S)-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-1-N-[(3S,6S,7R,10S,16S)-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.2.0]octadecan-6-yl]phenoxazine-1,9-dicarboxamide

Related CIDs

• CID 3085159