Nh2-asn-gln-ile-ile-glu-gln-leu-ile-lys-lys-glu-lys-val-tyr-cooh

Structural Information

Molecular Formula

C₈₀H₁₃₆N₂₀O₂₃

SMILES

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

InChI

InChI=1S/C80H136N20O23/c1-11-43(8)64(77(119)93-50(21-15-18-36-82)69(111)89-49(20-14-17-35-81)68(110)92-54(29-33-61(105)106)70(112)90-51(22-16-19-37-83)73(115)97-63(42(6)7)76(118)96-57(80(122)123)39-46-23-25-47(101)26-24-46)99-75(117)56(38-41(4)5)95-72(114)52(27-31-58(85)102)91-71(113)55(30-34-62(107)108)94-78(120)65(44(9)12-2)100-79(121)66(45(10)13-3)98-74(116)53(28-32-59(86)103)88-67(109)48(84)40-60(87)104/h23-26,41-45,48-57,63-66,101H,11-22,27-40,81-84H2,1-10H3,(H2,85,102)(H2,86,103)(H2,87,104)(H,88,109)(H,89,111)(H,90,112)(H,91,113)(H,92,110)(H,93,119)(H,94,120)(H,95,114)(H,96,118)(H,97,115)(H,98,116)(H,99,117)(H,100,121)(H,105,106)(H,107,108)(H,122,123)/t43-,44-,45-,48-,49-,50-,51-,52-,53-,54-,55-,56-,57-,63-,64-,65-,66-/m0/s1

InChIKey

NESGGCUOTBHXQU-WQTMODNFSA-N

Compound name

(4S)-4-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S)-5-amino-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-5-oxopentanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-5-[[(2S)-6-amino-1-[[(2S)-1-[[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16133667