Ewvrlgrellrrlkepft

Structural Information

Molecular Formula

C₁₀₅H₁₇₂N₃₂O₂₆

SMILES

C[C@H]([C@@H](C(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CCC(=O)O)N)O

InChI

InChI=1S/C105H172N32O26/c1-54(2)46-72(130-91(152)69(32-22-44-119-105(114)115)127-99(160)83(58(9)10)135-97(158)77(129-85(146)63(107)34-37-80(140)141)51-61-52-120-64-27-16-15-26-62(61)64)86(147)121-53-79(139)122-65(29-19-41-116-102(108)109)87(148)126-70(35-38-81(142)143)92(153)132-75(49-57(7)8)95(156)133-74(48-56(5)6)94(155)125-67(30-20-42-117-103(110)111)88(149)123-68(31-21-43-118-104(112)113)90(151)131-73(47-55(3)4)93(154)124-66(28-17-18-40-106)89(150)128-71(36-39-82(144)145)100(161)137-45-23-33-78(137)98(159)134-76(50-60-24-13-12-14-25-60)96(157)136-84(59(11)138)101(162)163/h12-16,24-27,52,54-59,63,65-78,83-84,120,138H,17-23,28-51,53,106-107H2,1-11H3,(H,121,147)(H,122,139)(H,123,149)(H,124,154)(H,125,155)(H,126,148)(H,127,160)(H,128,150)(H,129,146)(H,130,152)(H,131,151)(H,132,153)(H,133,156)(H,134,159)(H,135,158)(H,136,157)(H,140,141)(H,142,143)(H,144,145)(H,162,163)(H4,108,109,116)(H4,110,111,117)(H4,112,113,118)(H4,114,115,119)/t59-,63+,65+,66+,67+,68+,69+,70+,71+,72+,73+,74+,75+,76+,77+,78+,83+,84+/m1/s1

InChIKey

OZCDOWRAWGFRLG-IBBLZGOCSA-N

Compound name

(4S)-4-amino-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-4-carboxy-1-[(2S)-2-[[(2S)-1-[[(1S,2R)-1-carboxy-2-hydroxypropyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 71597027