Kkgsvvivghielggkp

Structural Information

Molecular Formula

C₇₈H₁₃₆N₂₂O₂₁

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N1CCC[C@H]1C(=O)O)NC(=O)[C@H](CC2=CN=CN2)NC(=O)CNC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)N

InChI

InChI=1S/C78H136N22O21/c1-13-45(11)64(75(117)93-50(26-27-60(106)107)69(111)94-52(32-41(3)4)68(110)85-35-56(102)84-36-57(103)89-51(24-17-20-30-81)77(119)100-31-21-25-55(100)78(120)121)98-70(112)53(33-47-34-83-40-88-47)90-58(104)38-87-72(114)61(42(5)6)96-76(118)65(46(12)14-2)99-74(116)63(44(9)10)97-73(115)62(43(7)8)95-71(113)54(39-101)91-59(105)37-86-67(109)49(23-16-19-29-80)92-66(108)48(82)22-15-18-28-79/h34,40-46,48-55,61-65,101H,13-33,35-39,79-82H2,1-12H3,(H,83,88)(H,84,102)(H,85,110)(H,86,109)(H,87,114)(H,89,103)(H,90,104)(H,91,105)(H,92,108)(H,93,117)(H,94,111)(H,95,113)(H,96,118)(H,97,115)(H,98,112)(H,99,116)(H,106,107)(H,120,121)/t45-,46-,48-,49-,50-,51-,52-,53-,54-,55-,61-,62-,63-,64-,65-/m0/s1

InChIKey

RFNFWAAEDDLLMO-OMBXSTMESA-N

Compound name

(2S)-1-[(2S)-6-amino-2-[[2-[[2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-6-amino-2-[[(2S)-2,6-diaminohexanoyl]amino]hexanoyl]amino]acetyl]amino]-3-hydroxypropanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]acetyl]amino]hexanoyl]pyrrolidine-2-carboxylic acid

Related CIDs

• CID 16072921