Sc22ek

Structural Information

Molecular Formula

C₁₃₂H₂₀₆N₃₀O₄₀

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)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](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CO)C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC2=CNC3=CC=CC=C32)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC4=CNC5=CC=CC=C54)N

InChI

InChI=1S/C132H206N30O40/c1-10-70(6)107(159-122(191)87(37-21-27-59-137)144-112(181)83(33-17-23-55-133)146-125(194)98(65-106(178)179)157-124(193)97(64-76-67-141-82-32-16-14-30-79(76)82)156-121(190)92(46-52-103(172)173)147-116(185)89(43-49-100(166)167)142-111(180)80(139)63-75-66-140-81-31-15-13-29-78(75)81)129(198)153-94(48-54-105(176)177)118(187)149-91(45-51-102(170)171)120(189)155-96(62-74-39-41-77(165)42-40-74)127(196)162-110(73(9)164)131(200)151-86(36-20-26-58-136)114(183)145-88(38-22-28-60-138)123(192)160-108(71(7)11-2)130(199)152-93(47-53-104(174)175)117(186)148-90(44-50-101(168)169)119(188)154-95(61-69(4)5)126(195)161-109(72(8)12-3)128(197)150-85(35-19-25-57-135)113(182)143-84(34-18-24-56-134)115(184)158-99(68-163)132(201)202/h13-16,29-32,39-42,66-67,69-73,80,83-99,107-110,140-141,163-165H,10-12,17-28,33-38,43-65,68,133-139H2,1-9H3,(H,142,180)(H,143,182)(H,144,181)(H,145,183)(H,146,194)(H,147,185)(H,148,186)(H,149,187)(H,150,197)(H,151,200)(H,152,199)(H,153,198)(H,154,188)(H,155,189)(H,156,190)(H,157,193)(H,158,184)(H,159,191)(H,160,192)(H,161,195)(H,162,196)(H,166,167)(H,168,169)(H,170,171)(H,172,173)(H,174,175)(H,176,177)(H,178,179)(H,201,202)/t70-,71-,72-,73+,80-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,107-,108-,109-,110-/m0/s1

InChIKey

VOSJORXWMRWWSO-VPEXTNRDSA-N

Compound name

(4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-6-amino-1-[[(2S)-6-amino-1-[[(1S)-1-carboxy-2-hydroxyethyl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-carboxybutanoyl]amino]-5-oxopentanoic acid

Related CIDs

• CID 44588689