Cyclic tat 40-44 (41/44)

Structural Information

Molecular Formula

C₉₃H₁₆₅N₄₁O₂₅S₂

SMILES

C[C@H]1C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CSSC[C@@H](C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)C)[C@@H](C)O)N)C(=O)NCC(=O)NCC(=O)N[C@@H](CC2=CC=C(C=C2)O)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)CO)CC(C)C

InChI

InChI=1S/C93H165N41O25S2/c1-46(2)38-62-84(155)132-64(43-135)85(156)133-65(45-161-160-44-52(96)73(144)134-70(49(5)136)86(157)120-47(3)71(142)119-48(4)72(143)131-62)75(146)117-40-67(139)116-41-68(140)122-63(39-50-24-26-51(137)27-25-50)74(145)118-42-69(141)121-53(18-10-32-110-88(98)99)76(147)123-54(16-6-8-30-94)77(148)124-55(17-7-9-31-95)78(149)125-56(19-11-33-111-89(100)101)79(150)126-58(21-13-35-113-91(104)105)81(152)129-60(28-29-66(97)138)83(154)128-57(20-12-34-112-90(102)103)80(151)127-59(22-14-36-114-92(106)107)82(153)130-61(87(158)159)23-15-37-115-93(108)109/h24-27,46-49,52-65,70,135-137H,6-23,28-45,94-96H2,1-5H3,(H2,97,138)(H,116,139)(H,117,146)(H,118,145)(H,119,142)(H,120,157)(H,121,141)(H,122,140)(H,123,147)(H,124,148)(H,125,149)(H,126,150)(H,127,151)(H,128,154)(H,129,152)(H,130,153)(H,131,143)(H,132,155)(H,133,156)(H,134,144)(H,158,159)(H4,98,99,110)(H4,100,101,111)(H4,102,103,112)(H4,104,105,113)(H4,106,107,114)(H4,108,109,115)/t47-,48-,49+,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,70-/m0/s1

InChIKey

SRQSOLSFMABVTP-LEDWRUNBSA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[2-[[(2S)-2-[[2-[[2-[[(4R,7S,10S,13S,16S,19S,22R)-22-amino-19-[(1R)-1-hydroxyethyl]-7-(hydroxymethyl)-13,16-dimethyl-10-(2-methylpropyl)-6,9,12,15,18,21-hexaoxo-1,2-dithia-5,8,11,14,17,20-hexazacyclotricosane-4-carbonyl]amino]acetyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-oxopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-carbamimidamidopentanoic acid

Related CIDs

• CID 16186136