Ilpwgwpwwpwrr-nh2

Structural Information

Molecular Formula

C₉₆H₁₂₃N₂₅O₁₃

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)NCC(=O)N[C@@H](CC4=CNC5=CC=CC=C54)C(=O)N6CCC[C@H]6C(=O)N[C@@H](CC7=CNC8=CC=CC=C87)C(=O)N[C@@H](CC9=CNC1=CC=CC=C19)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N)N

InChI

InChI=1S/C96H123N25O13/c1-5-54(4)82(97)91(131)118-75(41-53(2)3)92(132)119-38-18-33-78(119)88(128)114-72(42-55-47-105-65-26-11-6-21-60(55)65)84(124)110-52-81(122)111-76(45-58-50-108-68-29-14-9-24-63(58)68)93(133)120-39-19-34-79(120)89(129)116-74(44-57-49-107-67-28-13-8-23-62(57)67)87(127)117-77(46-59-51-109-69-30-15-10-25-64(59)69)94(134)121-40-20-35-80(121)90(130)115-73(43-56-48-106-66-27-12-7-22-61(56)66)86(126)113-71(32-17-37-104-96(101)102)85(125)112-70(83(98)123)31-16-36-103-95(99)100/h6-15,21-30,47-51,53-54,70-80,82,105-109H,5,16-20,31-46,52,97H2,1-4H3,(H2,98,123)(H,110,124)(H,111,122)(H,112,125)(H,113,126)(H,114,128)(H,115,130)(H,116,129)(H,117,127)(H,118,131)(H4,99,100,103)(H4,101,102,104)/t54-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,82-/m0/s1

InChIKey

BCUSHUCVUGCCGU-YCBNYLJOSA-N

Compound name

(2S)-N-[(2S)-1-[[(2S)-1-[(2S)-2-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-1-[(2S)-2-[[2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]acetyl]amino]-3-(1H-indol-3-yl)propanoyl]pyrrolidine-2-carboxamide

Related CIDs

• CID 16197756