Nh2-leu-arg-cys-arg-asn-glu-lys-lys-arg-his-arg-ala-val-arg-leu-ile-phe-thr-ile-cooh

Structural Information

Molecular Formula

C₁₀₅H₁₈₅N₃₉O₂₄S

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC2=CN=CN2)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CS)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)N

InChI

InChI=1S/C105H185N39O24S/c1-13-56(9)79(98(165)139-72(47-60-27-16-15-17-28-60)95(162)144-81(59(12)145)99(166)143-80(100(167)168)57(10)14-2)142-94(161)71(46-54(5)6)136-89(156)69(35-26-44-125-105(118)119)135-97(164)78(55(7)8)141-82(149)58(11)127-84(151)65(31-22-40-121-101(110)111)132-92(159)73(48-61-50-120-52-126-61)137-87(154)67(33-24-42-123-103(114)115)131-86(153)63(29-18-20-38-106)129-85(152)64(30-19-21-39-107)130-91(158)70(36-37-77(147)148)134-93(160)74(49-76(109)146)138-88(155)68(34-25-43-124-104(116)117)133-96(163)75(51-169)140-90(157)66(32-23-41-122-102(112)113)128-83(150)62(108)45-53(3)4/h15-17,27-28,50,52-59,62-75,78-81,145,169H,13-14,18-26,29-49,51,106-108H2,1-12H3,(H2,109,146)(H,120,126)(H,127,151)(H,128,150)(H,129,152)(H,130,158)(H,131,153)(H,132,159)(H,133,163)(H,134,160)(H,135,164)(H,136,156)(H,137,154)(H,138,155)(H,139,165)(H,140,157)(H,141,149)(H,142,161)(H,143,166)(H,144,162)(H,147,148)(H,167,168)(H4,110,111,121)(H4,112,113,122)(H4,114,115,123)(H4,116,117,124)(H4,118,119,125)/t56-,57-,58-,59+,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,78-,79-,80-,81-/m0/s1

InChIKey

ROKCGSSKNCMROH-KRCPTJOQSA-N

Compound name

(2S,3S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-sulfanylpropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-oxobutanoyl]amino]-4-carboxybutanoyl]amino]hexanoyl]amino]hexanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-5-carbamimidamidopentanoyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylpentanoic acid

Related CIDs

• CID 16186282