(2s)-2,6-diamino-n-[(2s)-1-[[(2s)-1-[[(2s)-1-[[(2s)-1-[[(2s)-1-[[(2s)-1-[[(2s)-1-[[(2s)-1-[[2-[[(2s,3s)-1-[[(2s)-1-[[(2s)-1-[[(2s)-1-[[(2s)-1-[[(2s)-1-[[(2s)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1h-indol-3-yl)-1-oxopropan-2-yl]hexanamide

Structural Information

Molecular Formula

C₉₉H₁₅₅N₃₅O₁₇

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N)NC(=O)CNC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](C)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](C)NC(=O)[C@H](CC4=CNC5=CC=CC=C54)NC(=O)[C@H](CCCCN)N

InChI

InChI=1S/C99H155N35O17/c1-9-55(4)78(94(151)123-59(8)83(140)131-73(49-61-30-15-11-16-31-61)91(148)127-70(40-26-46-116-98(109)110)87(144)126-69(39-25-45-115-97(107)108)86(143)120-56(5)80(137)124-67(79(102)136)37-23-43-113-95(103)104)133-76(135)53-119-85(142)68(38-24-44-114-96(105)106)125-90(147)72(48-60-28-13-10-14-29-60)130-82(139)58(7)122-93(150)77(54(2)3)134-88(145)71(41-27-47-117-99(111)112)128-92(149)74(50-62-32-17-12-18-33-62)129-81(138)57(6)121-89(146)75(132-84(141)65(101)35-21-22-42-100)51-63-52-118-66-36-20-19-34-64(63)66/h10-20,28-34,36,52,54-59,65,67-75,77-78,118H,9,21-27,35,37-51,53,100-101H2,1-8H3,(H2,102,136)(H,119,142)(H,120,143)(H,121,146)(H,122,150)(H,123,151)(H,124,137)(H,125,147)(H,126,144)(H,127,148)(H,128,149)(H,129,138)(H,130,139)(H,131,140)(H,132,141)(H,133,135)(H,134,145)(H4,103,104,113)(H4,105,106,114)(H4,107,108,115)(H4,109,110,116)(H4,111,112,117)/t55-,56-,57-,58-,59-,65-,67-,68-,69-,70-,71-,72-,73-,74-,75-,77-,78-/m0/s1

InChIKey

VVYIBEAAWCEMNO-DLKPUWHXSA-N

Compound name

(2S)-2,6-diamino-N-[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]hexanamide

Related CIDs

• CID 16130090