2-[(3s,6s,9e,12s,15s,18s,21s,24r,27s)-3-[(1s)-2-chloro-1-hydroxyethyl]-21-[2-(cyclopropylamino)-2-oxoethyl]-18-[4-(2,2-dimethylpropanoyloxymethoxycarbonylamino)butyl]-15,24-bis[2-(2,2-dimethylpropanoyloxymethoxycarbonylamino)ethyl]-9-ethylidene-12-[(1s)-1-hydroxyethyl]-27-[[(3s)-3-hydroxytetradecanoyl]amino]-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

C₇₅H₁₂₂ClN₁₃O₃₀

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)C)CC(=O)NC2CC2)CCCCNC(=O)OCOC(=O)C(C)(C)C)CCNC(=O)OCOC(=O)C(C)(C)C)[C@H](C)O)C(C(=O)O)O)[C@@H](CCl)O)O

InChI

InChI=1S/C75H122ClN13O30/c1-13-15-16-17-18-19-20-21-22-25-43(91)34-51(93)81-49-37-113-66(106)54(50(92)36-76)88-64(103)55(56(95)65(104)105)89-57(96)44(14-2)82-63(102)53(41(3)90)87-60(99)47(30-33-79-72(112)119-40-116-69(109)75(10,11)12)84-58(97)45(26-23-24-31-77-70(110)117-38-114-67(107)73(4,5)6)83-61(100)48(35-52(94)80-42-27-28-42)86-59(98)46(85-62(49)101)29-32-78-71(111)118-39-115-68(108)74(7,8)9/h14,41-43,45-50,53-56,90-92,95H,13,15-40H2,1-12H3,(H,77,110)(H,78,111)(H,79,112)(H,80,94)(H,81,93)(H,82,102)(H,83,100)(H,84,97)(H,85,101)(H,86,98)(H,87,99)(H,88,103)(H,89,96)(H,104,105)/b44-14+/t41-,43-,45-,46+,47-,48-,49-,50+,53-,54-,55-,56?/m0/s1

InChIKey

SLZZFRPQKUFWHZ-YJRPVLIPSA-N

Compound name

2-[(3S,6S,9E,12S,15S,18S,21S,24R,27S)-3-[(1S)-2-chloro-1-hydroxyethyl]-21-[2-(cyclopropylamino)-2-oxoethyl]-18-[4-(2,2-dimethylpropanoyloxymethoxycarbonylamino)butyl]-15,24-bis[2-(2,2-dimethylpropanoyloxymethoxycarbonylamino)ethyl]-9-ethylidene-12-[(1S)-1-hydroxyethyl]-27-[[(3S)-3-hydroxytetradecanoyl]amino]-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 6481161