2-[(3s,6s,9e,12s,15s,18s,21s,24r,27s)-3-[(1s)-2-chloro-1-hydroxyethyl]-21-[2-[2-(diethylamino)ethylamino]-2-oxoethyl]-9-ethylidene-12-[(1s)-1-hydroxyethyl]-27-[[(3s)-3-hydroxytetradecanoyl]amino]-18-[4-(2-methylpropanoyloxymethoxycarbonylamino)butyl]-15,24-bis[2-(2-methylpropanoyloxymethoxycarbonylamino)ethyl]-2,5,8,11,14,17,20,23,26-nonaoxo-1-oxa-4,7,10,13,16,19,22,25-octazacyclooctacos-6-yl]-2-hydroxyacetic acid

Structural Information

Molecular Formula

C₇₅H₁₂₅ClN₁₄O₃₀

SMILES

CCCCCCCCCCC[C@@H](CC(=O)N[C@H]1COC(=O)[C@@H](NC(=O)[C@@H](NC(=O)/C(=C\C)/NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC1=O)CCNC(=O)OCOC(=O)C(C)C)CC(=O)NCCN(CC)CC)CCCCNC(=O)OCOC(=O)C(C)C)CCNC(=O)OCOC(=O)C(C)C)[C@H](C)O)C(C(=O)O)O)[C@@H](CCl)O)O

InChI

InChI=1S/C75H125ClN14O30/c1-12-16-17-18-19-20-21-22-23-26-46(92)35-55(95)81-52-38-114-72(110)57(53(93)37-76)88-67(104)58(59(96)68(105)106)89-60(97)47(13-2)82-66(103)56(45(11)91)87-63(100)50(29-32-80-75(113)120-41-117-71(109)44(9)10)84-61(98)48(27-24-25-30-78-73(111)118-39-115-69(107)42(5)6)83-64(101)51(36-54(94)77-33-34-90(14-3)15-4)86-62(99)49(85-65(52)102)28-31-79-74(112)119-40-116-70(108)43(7)8/h13,42-46,48-53,56-59,91-93,96H,12,14-41H2,1-11H3,(H,77,94)(H,78,111)(H,79,112)(H,80,113)(H,81,95)(H,82,103)(H,83,101)(H,84,98)(H,85,102)(H,86,99)(H,87,100)(H,88,104)(H,89,97)(H,105,106)/b47-13+/t45-,46-,48-,49+,50-,51-,52-,53+,56-,57-,58-,59?/m0/s1

InChIKey

FCWXUORIXMWZSK-YHRHWTJJSA-N

Compound name

2-[(3S,6S,9E,12S,15S,18S,21S,24R,27S)-3-[(1S)-2-chloro-1-hydroxyethyl]-21-[2-[2-(diethylamino)ethylamino]-2-oxoethyl]-9-ethylidene-12-[(1S)-1-hydroxyethyl]-27-[[(3S)-3-hydroxytetradecanoyl]amino]-18-[4-(2-methylpropanoyloxymethoxycarbonylamino)butyl]-15,24-bis[2-(2-methylpropanoyloxymethoxycarbonylamino)ethyl]-2,5,8,11,14,17,20,23,26-nonaoxo-1-oxa-4,7,10,13,16,19,22,25-octazacyclooctacos-6-yl]-2-hydroxyacetic acid

Related CIDs

• CID 6481159