Stendomycin a

Structural Information

Molecular Formula

C₇₉H₁₃₇N₁₇O₁₉

SMILES

CCC(C)C1C(=O)NC(C(=O)OC(N(CC(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CO)C(C)O)C(C)C)C(C)C)C(=O)/C(=C/C)/NC(=O)C(C)NC(=O)C(C(C)CC)NC(=O)C(C(C)C)NC(=O)CNC(=O)C(C(C)O)N(C)C(=O)C2CCCN2C(=O)CCCCCCCCCCC(C)C)C)C3CCNC(=NC)N3C

InChI

InChI=1S/C79H137N17O19/c1-21-46(12)62(90-70(106)59(43(6)7)86-56(100)39-82-75(111)66(50(16)99)94(20)77(113)55-34-32-38-95(55)58(102)35-31-29-27-25-24-26-28-30-33-42(4)5)72(108)83-48(14)67(103)84-52(23-3)76(112)96-40-57(101)87-60(44(8)9)69(105)88-61(45(10)11)71(107)91-64(49(15)98)74(110)85-53(41-97)68(104)89-63(47(13)22-2)73(109)92-65(78(114)115-51(96)17)54-36-37-81-79(80-18)93(54)19/h23,42-51,53-55,59-66,97-99H,21-22,24-41H2,1-20H3,(H,80,81)(H,82,111)(H,83,108)(H,84,103)(H,85,110)(H,86,100)(H,87,101)(H,88,105)(H,89,104)(H,90,106)(H,91,107)(H,92,109)/b52-23-

InChIKey

OFXQHQNYNJFAGL-SBTPNTHMSA-N

Compound name

N-[1-[[2-[[1-[[1-[[1-[[(Z)-1-[19-butan-2-yl-13-(1-hydroxyethyl)-16-(hydroxymethyl)-2-methyl-22-(3-methyl-2-methylimino-1,3-diazinan-4-yl)-5,8,11,14,17,20,23-heptaoxo-7,10-di(propan-2-yl)-1-oxa-3,6,9,12,15,18,21-heptazacyclotricos-3-yl]-1-oxobut-2-en-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]-N-methyl-1-(12-methyltridecanoyl)pyrrolidine-2-carboxamide

Related CIDs

• CID 136033693