Nh2-lys-ile-leu-glu-pro-phe-arg-lys-gln-asn-pro-asp-ile-val-ile-tyr-gln-tyr-met-asp-cooh

Structural Information

Molecular Formula

C₁₁₆H₁₈₀N₂₈O₃₂S

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC4=CC=C(C=C4)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC5=CC=C(C=C5)O)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)O)NC(=O)[C@H](CCCCN)N

InChI

InChI=1S/C116H180N28O32S/c1-12-62(8)93(140-96(156)70(119)27-18-20-47-117)110(170)135-77(53-60(4)5)102(162)131-76(42-45-89(150)151)113(173)143-50-23-30-84(143)107(167)133-79(54-65-25-16-15-17-26-65)104(164)127-72(29-22-49-125-116(123)124)98(158)126-71(28-19-21-48-118)97(157)128-74(41-44-87(121)148)100(160)137-82(57-88(122)149)114(174)144-51-24-31-85(144)108(168)134-81(58-90(152)153)106(166)141-95(64(10)14-3)112(172)139-92(61(6)7)109(169)142-94(63(9)13-2)111(171)136-80(56-67-34-38-69(146)39-35-67)105(165)129-73(40-43-86(120)147)99(159)132-78(55-66-32-36-68(145)37-33-66)103(163)130-75(46-52-177-11)101(161)138-83(115(175)176)59-91(154)155/h15-17,25-26,32-39,60-64,70-85,92-95,145-146H,12-14,18-24,27-31,40-59,117-119H2,1-11H3,(H2,120,147)(H2,121,148)(H2,122,149)(H,126,158)(H,127,164)(H,128,157)(H,129,165)(H,130,163)(H,131,162)(H,132,159)(H,133,167)(H,134,168)(H,135,170)(H,136,171)(H,137,160)(H,138,161)(H,139,172)(H,140,156)(H,141,166)(H,142,169)(H,150,151)(H,152,153)(H,154,155)(H,175,176)(H4,123,124,125)/t62-,63-,64-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,92-,93-,94-,95-/m0/s1

InChIKey

ZRWKCAZXQRRFON-BGBOJVAFSA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-1-[(2S)-4-amino-2-[[(2S)-5-amino-2-[[(2S)-6-amino-2-[[(2S)-5-carbamimidamido-2-[[(2S)-2-[[(2S)-1-[(2S)-4-carboxy-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]butanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]pentanoyl]amino]hexanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]-3-carboxypropanoyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-methylpentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-5-oxopentanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]butanedioic acid

Related CIDs

• CID 16133660