Kai-1678

Structural Information

Molecular Formula

C₁₀₇H₁₉₀N₄₄O₂₈

SMILES

C[C@H]([C@@H](C(=O)NCC(=O)NCC(=O)N[C@@H](CC1=CC=C(C=C1)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)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](C(C)C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)C)O

InChI

InChI=1S/C107H190N44O28/c1-55(2)49-73(147-97(175)75(54-152)148-100(178)82(56(3)4)149-85(163)57(5)134-87(165)70(135-59(7)154)36-38-81(160)161)96(174)146-72(23-10-13-41-110)101(179)151-48-20-30-76(151)98(176)150-83(58(6)153)99(177)133-51-78(157)131-52-79(158)137-74(50-60-31-33-61(155)34-32-60)86(164)132-53-80(159)136-63(25-15-43-126-103(115)116)88(166)139-64(21-8-11-39-108)90(168)140-65(22-9-12-40-109)91(169)142-67(27-17-45-128-105(119)120)92(170)143-69(29-19-47-130-107(123)124)94(172)145-71(35-37-77(111)156)95(173)144-68(28-18-46-129-106(121)122)93(171)141-66(26-16-44-127-104(117)118)89(167)138-62(84(112)162)24-14-42-125-102(113)114/h31-34,55-58,62-76,82-83,152-153,155H,8-30,35-54,108-110H2,1-7H3,(H2,111,156)(H2,112,162)(H,131,157)(H,132,164)(H,133,177)(H,134,165)(H,135,154)(H,136,159)(H,137,158)(H,138,167)(H,139,166)(H,140,168)(H,141,171)(H,142,169)(H,143,170)(H,144,173)(H,145,172)(H,146,174)(H,147,175)(H,148,178)(H,149,163)(H,150,176)(H,160,161)(H4,113,114,125)(H4,115,116,126)(H4,117,118,127)(H4,119,120,128)(H4,121,122,129)(H4,123,124,130)/t57-,58+,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,82-,83-/m0/s1

InChIKey

UVKJMACBAZMKAL-IAPYPFBNSA-N

Compound name

(4S)-4-acetamido-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[(2S)-2-[[(2S,3R)-1-[[2-[[2-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 124037376