Ac-ykldiipidn dttsytltsc-nh2

Structural Information

Molecular Formula

C₁₀₂H₁₆₁N₂₃O₃₆S

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)C

InChI

InChI=1S/C102H161N23O36S/c1-16-47(8)76(119-95(154)71-23-21-33-125(71)102(161)78(49(10)18-3)120-97(156)77(48(9)17-2)118-91(150)66(40-74(138)139)111-85(144)60(34-45(4)5)108-84(143)59(22-19-20-32-103)107-86(145)62(106-54(15)132)36-55-24-28-57(133)29-25-55)96(155)114-65(39-73(136)137)88(147)110-64(38-72(104)135)87(146)112-67(41-75(140)141)92(151)123-82(53(14)131)101(160)124-81(52(13)130)100(159)115-68(42-126)93(152)109-63(37-56-26-30-58(134)31-27-56)90(149)122-79(50(11)128)98(157)113-61(35-46(6)7)89(148)121-80(51(12)129)99(158)116-69(43-127)94(153)117-70(44-162)83(105)142/h24-31,45-53,59-71,76-82,126-131,133-134,162H,16-23,32-44,103H2,1-15H3,(H2,104,135)(H2,105,142)(H,106,132)(H,107,145)(H,108,143)(H,109,152)(H,110,147)(H,111,144)(H,112,146)(H,113,157)(H,114,155)(H,115,159)(H,116,158)(H,117,153)(H,118,150)(H,119,154)(H,120,156)(H,121,148)(H,122,149)(H,123,151)(H,124,160)(H,136,137)(H,138,139)(H,140,141)/t47-,48-,49-,50+,51+,52+,53+,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,76-,77-,78-,79-,80-,81-,82-/m0/s1

InChIKey

SDLHXAWAVOAORO-DLYWEOAHSA-N

Compound name

(3S)-3-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-3-(4-hydroxyphenyl)propanoyl]amino]-6-aminohexanoyl]amino]-4-methylpentanoyl]amino]-4-[[(2S,3S)-1-[[(2S,3S)-1-[(2S)-2-[[(2S,3S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S,3R)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2R)-1-amino-1-oxo-3-sulfanylpropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-oxobutanoic acid

Related CIDs

• CID 16204866