Aca-llqltvwgikqlqaril-conh2

Structural Information

Molecular Formula

C₁₀₀H₁₇₃N₂₇O₂₂

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)CCCCCN

InChI

InChI=1S/C100H173N27O22/c1-19-57(15)81(97(147)118-64(31-25-27-41-102)88(138)115-67(35-38-76(104)130)89(139)120-71(45-53(7)8)93(143)116-66(34-37-75(103)129)87(137)112-59(17)85(135)114-65(32-28-42-109-100(107)108)91(141)126-82(58(16)20-2)98(148)119-69(84(106)134)43-51(3)4)124-79(133)50-111-86(136)74(48-61-49-110-63-30-24-23-29-62(61)63)123-96(146)80(56(13)14)125-99(149)83(60(18)128)127-95(145)73(47-55(11)12)121-90(140)68(36-39-77(105)131)117-94(144)72(46-54(9)10)122-92(142)70(44-52(5)6)113-78(132)33-22-21-26-40-101/h23-24,29-30,49,51-60,64-74,80-83,110,128H,19-22,25-28,31-48,50,101-102H2,1-18H3,(H2,103,129)(H2,104,130)(H2,105,131)(H2,106,134)(H,111,136)(H,112,137)(H,113,132)(H,114,135)(H,115,138)(H,116,143)(H,117,144)(H,118,147)(H,119,148)(H,120,139)(H,121,140)(H,122,142)(H,123,146)(H,124,133)(H,125,149)(H,126,141)(H,127,145)(H4,107,108,109)/t57-,58-,59-,60+,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,80-,81-,82-,83-/m0/s1

InChIKey

RRTJKTLYAVXKKJ-OELFWZTLSA-N

Compound name

(2S)-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-(6-aminohexanoylamino)-4-methylpentanoyl]amino]-4-methylpentanoyl]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]hexanoyl]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 16197392