Gykrkfhekhhshrgy

Structural Information

Molecular Formula

C₉₃H₁₃₅N₃₃O₂₂

SMILES

C1=CC=C(C=C1)C[C@@H](C(=O)N[C@@H](CC2=CN=CN2)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC3=CN=CN3)C(=O)N[C@@H](CC4=CN=CN4)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC5=CN=CN5)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CC6=CC=C(C=C6)O)C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC7=CC=C(C=C7)O)NC(=O)CN

InChI

InChI=1S/C93H135N33O22/c94-29-7-4-14-62(119-84(140)67(113-75(130)41-97)35-53-19-23-59(128)24-20-53)79(135)118-65(18-11-33-107-93(100)101)80(136)116-63(15-5-8-30-95)81(137)121-68(34-52-12-2-1-3-13-52)85(141)123-69(37-55-42-102-48-109-55)87(143)120-66(27-28-77(132)133)83(139)117-64(16-6-9-31-96)82(138)122-71(39-57-44-104-50-111-57)88(144)124-72(40-58-45-105-51-112-58)89(145)126-74(47-127)90(146)125-70(38-56-43-103-49-110-56)86(142)115-61(17-10-32-106-92(98)99)78(134)108-46-76(131)114-73(91(147)148)36-54-21-25-60(129)26-22-54/h1-3,12-13,19-26,42-45,48-51,61-74,127-129H,4-11,14-18,27-41,46-47,94-97H2,(H,102,109)(H,103,110)(H,104,111)(H,105,112)(H,108,134)(H,113,130)(H,114,131)(H,115,142)(H,116,136)(H,117,139)(H,118,135)(H,119,140)(H,120,143)(H,121,137)(H,122,138)(H,123,141)(H,124,144)(H,125,146)(H,126,145)(H,132,133)(H,147,148)(H4,98,99,106)(H4,100,101,107)/t61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-/m0/s1

InChIKey

LQAGIFHMPBXTOM-KHKKPXNASA-N

Compound name

(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-(4-hydroxyphenyl)propanoyl]amino]hexanoyl]amino]-5-carbamimidamidopentanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-5-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-carbamimidamido-1-[[2-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-2-oxoethyl]amino]-1-oxopentan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16197489