Eqmhediislwdqslkpcvkltplc

Structural Information

Molecular Formula

C₁₂₉H₂₀₈N₃₂O₃₉S₃

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N3CCC[C@H]3C(=O)N[C@@H](CS)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N4CCC[C@H]4C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CS)C(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC5=CN=CN5)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)O)N

InChI

InChI=1S/C129H208N32O39S3/c1-17-67(13)102(158-126(196)103(68(14)18-2)157-118(188)88(54-100(173)174)149-108(178)78(36-40-98(169)170)140-115(185)86(52-71-56-135-61-137-71)148-110(180)79(41-46-203-16)141-107(177)76(34-37-95(133)165)138-105(175)73(132)33-39-97(167)168)125(195)153-90(58-163)120(190)146-82(48-63(5)6)112(182)147-85(51-70-55-136-74-28-20-19-27-72(70)74)114(184)150-87(53-99(171)172)116(186)139-77(35-38-96(134)166)109(179)152-89(57-162)119(189)145-81(47-62(3)4)111(181)143-80(30-22-24-43-131)127(197)160-44-25-31-93(160)123(193)154-91(59-201)121(191)156-101(66(11)12)124(194)142-75(29-21-23-42-130)106(176)144-84(50-65(9)10)117(187)159-104(69(15)164)128(198)161-45-26-32-94(161)122(192)151-83(49-64(7)8)113(183)155-92(60-202)129(199)200/h19-20,27-28,55-56,61-69,73,75-94,101-104,136,162-164,201-202H,17-18,21-26,29-54,57-60,130-132H2,1-16H3,(H2,133,165)(H2,134,166)(H,135,137)(H,138,175)(H,139,186)(H,140,185)(H,141,177)(H,142,194)(H,143,181)(H,144,176)(H,145,189)(H,146,190)(H,147,182)(H,148,180)(H,149,178)(H,150,184)(H,151,192)(H,152,179)(H,153,195)(H,154,193)(H,155,183)(H,156,191)(H,157,188)(H,158,196)(H,159,187)(H,167,168)(H,169,170)(H,171,172)(H,173,174)(H,199,200)/t67-,68-,69+,73-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,101-,102-,103-,104-/m0/s1

InChIKey

WRSUKLCBWZVPAQ-MVDVYJQXSA-N

Compound name

(4S)-4-amino-5-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[(2S)-2-[[(2R)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S,3R)-1-[(2S)-2-[[(2S)-1-[[(1R)-1-carboxy-2-sulfanylethyl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-hydroxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxo-3-sulfanylpropan-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]-1,5-dioxopentan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16197703