Cn-2097

Structural Information

Molecular Formula

C₉₆H₁₇₄N₄₄O₂₃S₂

SMILES

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

InChI

InChI=1S/C96H174N44O23S2/c1-49(2)71(89(162)163)139-85(158)65-31-32-69(144)118-44-33-70(145)117-36-9-6-19-58(84(157)140-72(50(3)141)88(161)136-65)129-77(150)57(18-5-8-35-98)135-86(159)66(45-51-27-29-52(142)30-28-51)137-87(160)67(46-68(101)143)138-83(156)56(17-4-7-34-97)127-74(147)53(99)47-164-165-48-54(100)75(148)128-59(21-11-38-120-91(105)106)78(151)131-61(23-13-40-122-93(109)110)80(153)133-63(25-15-42-124-95(113)114)82(155)134-64(26-16-43-125-96(115)116)81(154)132-62(24-14-41-123-94(111)112)79(152)130-60(22-12-39-121-92(107)108)76(149)126-55(73(102)146)20-10-37-119-90(103)104/h27-30,49-50,53-67,71-72,141-142H,4-26,31-48,97-100H2,1-3H3,(H2,101,143)(H2,102,146)(H,117,145)(H,118,144)(H,126,149)(H,127,147)(H,128,148)(H,129,150)(H,130,152)(H,131,151)(H,132,154)(H,133,153)(H,134,155)(H,135,159)(H,136,161)(H,137,160)(H,138,156)(H,139,158)(H,140,157)(H,162,163)(H4,103,104,119)(H4,105,106,120)(H4,107,108,121)(H4,109,110,122)(H4,111,112,123)(H4,113,114,124)(H4,115,116,125)/t50-,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,64+,65+,66+,67+,71+,72+/m1/s1

InChIKey

YVHNLJSCOYUIPK-YPBSVZMPSA-N

Compound name

(2S)-2-[[[(2S,5S,18S)-18-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2R)-2-amino-3-[[(2R)-2-amino-3-[(2S)-5-carbamimidamido-1-[(2S)-5-carbamimidamido-1-[(2S)-5-carbamimidamido-1-[(2S)-5-carbamimidamido-1-[(2S)-5-carbamimidamido-1-[(2S)-5-carbamimidamido-1-[(2S)-5-carbamimidamido-1-hydroxy-1-iminopentan-2-yl]imino-1-hydroxypentan-2-yl]imino-1-hydroxypentan-2-yl]imino-1-hydroxypentan-2-yl]imino-1-hydroxypentan-2-yl]imino-1-hydroxypentan-2-yl]imino-1-hydroxypentan-2-yl]imino-3-hydroxypropyl]disulfanyl]-1-hydroxypropylidene]amino]-1-hydroxyhexylidene]amino]-1,4-dihydroxy-4-iminobutylidene]amino]-1-hydroxy-3-(4-hydroxyphenyl)propylidene]amino]-1-hydroxyhexylidene]amino]-3,8,12,19-tetrahydroxy-2-[(1R)-1-hydroxyethyl]-1,4,9,13-tetrazacyclononadeca-3,8,12,19-tetraen-5-yl]-hydroxymethylidene]amino]-3-methylbutanoic acid

Related CIDs

• CID 132608720