(hooc)-rqllsgivqqqnnllraieaqqhllqk

Structural Information

Molecular Formula

C₁₃₇H₂₃₅N₄₅O₄₂

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](C(C)C)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[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)O

InChI

InChI=1S/C137H235N45O42/c1-21-69(17)107(180-104(193)59-155-111(198)94(60-183)178-127(214)90(54-67(13)14)172-124(211)87(51-64(7)8)169-119(206)79(33-41-98(142)187)161-114(201)75(179-137(223)224)29-26-48-154-136(150)151)133(220)181-106(68(15)16)131(218)166-82(36-44-101(145)190)117(204)162-77(31-39-96(140)185)116(203)164-81(35-43-100(144)189)121(208)176-92(56-102(146)191)130(217)177-93(57-103(147)192)129(216)174-89(53-66(11)12)126(213)170-85(49-62(3)4)122(209)160-74(28-25-47-153-135(148)149)112(199)158-72(20)110(197)182-108(70(18)22-2)132(219)167-83(37-45-105(194)195)113(200)157-71(19)109(196)159-76(30-38-95(139)184)115(202)163-80(34-42-99(143)188)120(207)175-91(55-73-58-152-61-156-73)128(215)173-88(52-65(9)10)125(212)171-86(50-63(5)6)123(210)165-78(32-40-97(141)186)118(205)168-84(134(221)222)27-23-24-46-138/h58,61-72,74-94,106-108,179,183H,21-57,59-60,138H2,1-20H3,(H2,139,184)(H2,140,185)(H2,141,186)(H2,142,187)(H2,143,188)(H2,144,189)(H2,145,190)(H2,146,191)(H2,147,192)(H,152,156)(H,155,198)(H,157,200)(H,158,199)(H,159,196)(H,160,209)(H,161,201)(H,162,204)(H,163,202)(H,164,203)(H,165,210)(H,166,218)(H,167,219)(H,168,205)(H,169,206)(H,170,213)(H,171,212)(H,172,211)(H,173,215)(H,174,216)(H,175,207)(H,176,208)(H,177,217)(H,178,214)(H,180,193)(H,181,220)(H,182,197)(H,194,195)(H,221,222)(H,223,224)(H4,148,149,153)(H4,150,151,154)/t69-,70-,71-,72-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,106-,107-,108-/m0/s1

InChIKey

IVFJZCPVWBHOTI-HOEBBBELSA-N

Compound name

(2S)-6-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-4-amino-2-[[(2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S,3S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-5-carbamimidamido-2-(carboxyamino)pentanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]-4-carboxybutanoyl]amino]propanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-oxopentanoyl]amino]hexanoic acid

Related CIDs

• CID 86575196