(4r)-5-[[(2r)-5-amino-1-[[(2r)-1-[[(2r)-1-[[(2s)-5-amino-1-[[(3s,6r,9s,12r,15s,18r,21r,24r)-6-(3-amino-3-oxopropyl)-3-[(2s)-butan-2-yl]-9,15,18-tris(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-(3-oxobutyl)-21-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclopentacos-24-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-[[(2s)-2-[[(3r)-3-hydroxydecanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoic acid

Structural Information

Molecular Formula

C₈₅H₁₄₇N₁₇O₂₃

SMILES

CCCCCCC[C@H](CC(=O)N[C@@H](CC(C)C)C(=O)N[C@H](CCC(=O)O)C(=O)N[C@H](CCC(=O)N)C(=O)N[C@H](C(C)C)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H]1COC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@H](NC1=O)C(C)C)CC(C)C)CC(C)C)CCC(=O)C)CC(C)C)CCC(=O)N)[C@@H](C)CC)O

InChI

InChI=1S/C85H147N17O23/c1-19-21-22-23-24-25-52(104)41-67(108)89-58(36-43(3)4)77(116)94-57(31-35-68(109)110)72(111)90-55(29-33-65(87)106)75(114)100-69(48(13)14)83(122)97-61(39-46(9)10)80(119)92-54(28-32-64(86)105)74(113)99-63-42-125-85(124)71(50(17)20-2)102-76(115)56(30-34-66(88)107)93-78(117)59(37-44(5)6)95-73(112)53(27-26-51(18)103)91-79(118)60(38-45(7)8)96-81(120)62(40-47(11)12)98-84(123)70(49(15)16)101-82(63)121/h43-50,52-63,69-71,104H,19-42H2,1-18H3,(H2,86,105)(H2,87,106)(H2,88,107)(H,89,108)(H,90,111)(H,91,118)(H,92,119)(H,93,117)(H,94,116)(H,95,112)(H,96,120)(H,97,122)(H,98,123)(H,99,113)(H,100,114)(H,101,121)(H,102,115)(H,109,110)/t50-,52+,53+,54-,55+,56+,57+,58-,59-,60-,61+,62+,63+,69+,70+,71-/m0/s1

InChIKey

BPYXKRXNSZAUNS-PBNZGLAPSA-N

Compound name

(4R)-5-[[(2R)-5-amino-1-[[(2R)-1-[[(2R)-1-[[(2S)-5-amino-1-[[(3S,6R,9S,12R,15S,18R,21R,24R)-6-(3-amino-3-oxopropyl)-3-[(2S)-butan-2-yl]-9,15,18-tris(2-methylpropyl)-2,5,8,11,14,17,20,23-octaoxo-12-(3-oxobutyl)-21-propan-2-yl-1-oxa-4,7,10,13,16,19,22-heptazacyclopentacos-24-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-[[(2S)-2-[[(3R)-3-hydroxydecanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoic acid

Related CIDs

• CID 86575705