Lqarilaverylkdqqq-nh2

Structural Information

Molecular Formula

C₉₁H₁₅₅N₂₉O₂₆

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(C)C)N

InChI

InChI=1S/C91H155N29O26/c1-13-47(10)72(120-83(140)56(20-17-37-104-91(101)102)108-74(131)48(11)105-77(134)57(26-31-66(95)123)109-76(133)52(93)38-43(2)3)89(146)118-61(39-44(4)5)84(141)106-49(12)75(132)119-71(46(8)9)88(145)114-60(29-34-69(126)127)82(139)110-55(19-16-36-103-90(99)100)79(136)116-63(41-50-21-23-51(121)24-22-50)86(143)115-62(40-45(6)7)85(142)111-54(18-14-15-35-92)78(135)117-64(42-70(128)129)87(144)113-59(28-33-68(97)125)81(138)112-58(27-32-67(96)124)80(137)107-53(73(98)130)25-30-65(94)122/h21-24,43-49,52-64,71-72,121H,13-20,25-42,92-93H2,1-12H3,(H2,94,122)(H2,95,123)(H2,96,124)(H2,97,125)(H2,98,130)(H,105,134)(H,106,141)(H,107,137)(H,108,131)(H,109,133)(H,110,139)(H,111,142)(H,112,138)(H,113,144)(H,114,145)(H,115,143)(H,116,136)(H,117,135)(H,118,146)(H,119,132)(H,120,140)(H,126,127)(H,128,129)(H4,99,100,103)(H4,101,102,104)/t47-,48-,49-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,71-,72-/m0/s1

InChIKey

BNNXCLCXTSAFSB-TVVBJSJVSA-N

Compound name

(4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-5-amino-1-[[(2S)-1,5-diamino-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]propanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16130098