C14linkn

Structural Information

Molecular Formula

C₉₁H₁₂₅N₂₁O₃₀S

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]2CCC(=O)NCCCCCNC(=O)CC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N2)CC(=O)O)CC3=CNC4=CC=CC=C43)CCC(=O)O)CCSC)CC5=CNC6=CC=CC=C65)[C@@H](C)O)NC(=O)CCC(=O)O

InChI

InChI=1S/C91H125N21O30S/c1-6-44(2)75(90(141)109-64(40-67(93)117)87(138)106-63(39-66(92)116)86(137)104-60(36-47-18-20-50(115)21-19-47)89(140)111-76(45(3)113)78(94)129)110-83(134)58(25-30-72(123)124)101-79(130)56-23-27-69(119)96-34-13-7-12-33-95-68(118)26-22-55(99-70(120)28-31-73(125)126)82(133)112-77(46(4)114)91(142)108-62(38-49-43-98-54-17-11-9-15-52(49)54)84(135)103-59(32-35-143-5)81(132)100-57(24-29-71(121)122)80(131)105-61(37-48-42-97-53-16-10-8-14-51(48)53)85(136)107-65(41-74(127)128)88(139)102-56/h8-11,14-21,42-46,55-65,75-77,97-98,113-115H,6-7,12-13,22-41H2,1-5H3,(H2,92,116)(H2,93,117)(H2,94,129)(H,95,118)(H,96,119)(H,99,120)(H,100,132)(H,101,130)(H,102,139)(H,103,135)(H,104,137)(H,105,131)(H,106,138)(H,107,136)(H,108,142)(H,109,141)(H,110,134)(H,111,140)(H,112,133)(H,121,122)(H,123,124)(H,125,126)(H,127,128)/t44-,45+,46+,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,75-,76-,77-/m0/s1

InChIKey

MAKYODNJQNAUCY-KDVLFZHWSA-N

Compound name

(4S)-5-[[(2S,3S)-1-[[(2S)-4-amino-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S,3R)-1-amino-3-hydroxy-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-[[(2S,5S,8S,11S,14S,17S,20S,34S)-11-(2-carboxyethyl)-17-(carboxymethyl)-34-(3-carboxypropanoylamino)-2-[(1R)-1-hydroxyethyl]-5,14-bis(1H-indol-3-ylmethyl)-8-(2-methylsulfanylethyl)-3,6,9,12,15,18,23,31,35-nonaoxo-1,4,7,10,13,16,19,24,30-nonazacyclopentatriacontane-20-carbonyl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16131497