2-[(3s,6s,9e,12s,15s,18s,21s,24r,27s)-3-[(1s)-2-chloro-1-hydroxyethyl]-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-21-[2-oxo-2-(pentylamino)ethyl]-1-oxa-4,7,10,13,16,19,22,25-octazacyclooctacos-6-yl]-2-hydroxyacetic acid

Structural Information

Molecular Formula

C₇₄H₁₂₂ClN₁₃O₃₀

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)NCCCCC)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/C74H122ClN13O30/c1-11-14-16-17-18-19-20-21-22-26-45(90)34-54(93)80-51-37-112-71(108)56(52(91)36-75)87-66(102)57(58(94)67(103)104)88-59(95)46(13-3)81-65(101)55(44(10)89)86-62(98)49(29-33-79-74(111)118-40-115-70(107)43(8)9)83-60(96)47(27-23-25-31-77-72(109)116-38-113-68(105)41(4)5)82-63(99)50(35-53(92)76-30-24-15-12-2)85-61(97)48(84-64(51)100)28-32-78-73(110)117-39-114-69(106)42(6)7/h13,41-45,47-52,55-58,89-91,94H,11-12,14-40H2,1-10H3,(H,76,92)(H,77,109)(H,78,110)(H,79,111)(H,80,93)(H,81,101)(H,82,99)(H,83,96)(H,84,100)(H,85,97)(H,86,98)(H,87,102)(H,88,95)(H,103,104)/b46-13+/t44-,45-,47-,48+,49-,50-,51-,52+,55-,56-,57-,58?/m0/s1

InChIKey

ITRCJYRDKONPKY-BWHOODRISA-N

Compound name

2-[(3S,6S,9E,12S,15S,18S,21S,24R,27S)-3-[(1S)-2-chloro-1-hydroxyethyl]-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-21-[2-oxo-2-(pentylamino)ethyl]-1-oxa-4,7,10,13,16,19,22,25-octazacyclooctacos-6-yl]-2-hydroxyacetic acid

Related CIDs

• CID 6481157