Ac-cggllqltvwgikqlqaril-conh2

Structural Information

Molecular Formula

C₁₀₃H₁₇₅N₂₉O₂₅S

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N)NC(=O)CNC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@H](C(C)C)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)CNC(=O)[C@H](CS)NC(=O)C

InChI

InChI=1S/C103H175N29O25S/c1-20-56(15)83(100(155)123-64(29-24-25-37-104)91(146)120-67(32-35-77(106)136)92(147)125-71(41-52(7)8)96(151)121-66(31-34-76(105)135)90(145)116-58(17)87(142)119-65(30-26-38-111-103(109)110)94(149)131-84(57(16)21-2)101(156)124-69(86(108)141)39-50(3)4)129-81(140)48-115-88(143)74(44-61-45-112-63-28-23-22-27-62(61)63)128-99(154)82(55(13)14)130-102(157)85(59(18)133)132-98(153)73(43-54(11)12)126-93(148)68(33-36-78(107)137)122-97(152)72(42-53(9)10)127-95(150)70(40-51(5)6)118-80(139)47-113-79(138)46-114-89(144)75(49-158)117-60(19)134/h22-23,27-28,45,50-59,64-75,82-85,112,133,158H,20-21,24-26,29-44,46-49,104H2,1-19H3,(H2,105,135)(H2,106,136)(H2,107,137)(H2,108,141)(H,113,138)(H,114,144)(H,115,143)(H,116,145)(H,117,134)(H,118,139)(H,119,142)(H,120,146)(H,121,151)(H,122,152)(H,123,155)(H,124,156)(H,125,147)(H,126,148)(H,127,150)(H,128,154)(H,129,140)(H,130,157)(H,131,149)(H,132,153)(H4,109,110,111)/t56-,57-,58-,59+,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,82-,83-,84-,85-/m0/s1

InChIKey

SZSGEBHKOAGHKV-AFDGLEPUSA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[2-[[(2R)-2-acetamido-3-sulfanylpropanoyl]amino]acetyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-amino-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]-6-aminohexanoyl]amino]-N-[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]pentanediamide

Related CIDs

• CID 16197391