Unii-pyz33ylr8a

Structural Information

Molecular Formula

C₁₀₃H₁₆₆N₂₈O₂₆S₂

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NC(CC2=CC=CC=C2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC3=CC=C(C=C3)O)C(=O)N[C@@H](C(C)C)C(=O)NC(C(C)C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]4CCCN4C(=O)[C@H](C)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCNC(=N)N)NC(=O)C

InChI

InChI=1S/C103H166N28O26S2/c1-15-56(9)81(129-98(155)82(57(10)16-2)128-88(145)66(37-39-77(136)137)117-86(143)65(36-38-76(134)135)119-93(150)74-30-23-45-130(74)99(156)58(11)114-84(141)67(40-47-158-13)118-85(142)64(115-59(12)132)28-21-43-112-102(107)108)97(154)120-68(41-48-159-14)87(144)124-73(52-78(138)139)91(148)121-69(29-22-44-113-103(109)110)100(157)131-46-24-31-75(131)94(151)125-71(50-60-25-18-17-19-26-60)90(147)122-70(49-53(3)4)89(146)123-72(51-61-32-34-62(133)35-33-61)92(149)126-80(55(7)8)96(153)127-79(54(5)6)95(152)116-63(83(104)140)27-20-42-111-101(105)106/h17-19,25-26,32-35,53-58,63-75,79-82,133H,15-16,20-24,27-31,36-52H2,1-14H3,(H2,104,140)(H,114,141)(H,115,132)(H,116,152)(H,117,143)(H,118,142)(H,119,150)(H,120,154)(H,121,148)(H,122,147)(H,123,146)(H,124,144)(H,125,151)(H,126,149)(H,127,153)(H,128,145)(H,129,155)(H,134,135)(H,136,137)(H,138,139)(H4,105,106,111)(H4,107,108,112)(H4,109,110,113)/t56-,57-,58-,63-,64-,65-,66-,67-,68-,69-,70-,71?,72-,73-,74-,75-,79?,80-,81-,82-/m0/s1

InChIKey

ZTJPRZKVCCFRAT-WRCUPUJGSA-N

Compound name

(4S)-4-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-5-carbamimidamidopentanoyl]amino]-4-methylsulfanylbutanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]amino]-5-[[(2S)-1-[[(2S,3S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[(2S)-2-[[1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[1-[[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]carbamoyl]pyrrolidin-1-yl]-5-carbamimidamido-1-oxopentan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 86291591