4ala-t-i

Structural Information

Molecular Formula

C₉₉H₁₅₅N₃₅O₁₉

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CC1=CC=C(C=C1)O)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=C(C=C2)O)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/C99H155N35O19/c1-9-53(4)78(94(153)123-57(8)83(142)131-74(48-60-34-38-63(136)39-35-60)92(151)127-70(30-20-44-116-98(109)110)87(146)126-69(29-19-43-115-97(107)108)86(145)120-54(5)80(139)124-67(79(102)138)27-17-41-113-95(103)104)133-76(137)51-119-85(144)68(28-18-42-114-96(105)106)125-90(149)73(47-59-32-36-62(135)37-33-59)130-82(141)56(7)122-93(152)77(52(2)3)134-88(147)71(31-21-45-117-99(111)112)128-91(150)72(46-58-22-11-10-12-23-58)129-81(140)55(6)121-89(148)75(132-84(143)65(101)25-15-16-40-100)49-61-50-118-66-26-14-13-24-64(61)66/h10-14,22-24,26,32-39,50,52-57,65,67-75,77-78,118,135-136H,9,15-21,25,27-31,40-49,51,100-101H2,1-8H3,(H2,102,138)(H,119,144)(H,120,145)(H,121,148)(H,122,152)(H,123,153)(H,124,139)(H,125,149)(H,126,146)(H,127,151)(H,128,150)(H,129,140)(H,130,141)(H,131,142)(H,132,143)(H,133,137)(H,134,147)(H4,103,104,113)(H4,105,106,114)(H4,107,108,115)(H4,109,110,116)(H4,111,112,117)/t53-,54-,55-,56-,57-,65-,67-,68-,69-,70-,71-,72-,73-,74-,75-,77-,78-/m0/s1

InChIKey

MUXPRKYCIQVMAM-SCJCPTAISA-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]-3-(4-hydroxyphenyl)-1-oxopropan-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]-3-(4-hydroxyphenyl)-1-oxopropan-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 16197333