Schembl29361874

Structural Information

Molecular Formula

C₁₄₀H₂₂₅N₃₅O₃₂S₂

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CCSC)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N)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)O)NC(=O)[C@H](CC4=CC=CC=C4)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC5=CC=CC=C5)NC(=O)[C@@H]6CCCN6

InChI

InChI=1S/C140H225N35O32S2/c1-22-78(16)110(170-124(192)96(67-85-45-32-27-33-46-85)162-131(199)108(76(12)13)167-123(191)93(64-73(6)7)158-122(190)94(65-83-41-28-25-29-42-83)159-116(184)86-48-36-57-148-86)132(200)156-88(50-38-59-150-140(146)147)117(185)154-89(53-54-105(180)181)119(187)169-109(77(14)15)137(205)175-61-40-52-101(175)127(195)161-92(63-72(4)5)120(188)160-97(68-102(142)177)125(193)173-113(82(20)176)135(203)172-112(80(18)24-3)134(202)171-111(79(17)23-2)133(201)163-95(66-84-43-30-26-31-44-84)121(189)155-90(55-62-209-21)115(183)151-70-104(179)153-87(49-37-58-149-139(144)145)118(186)166-106(74(8)9)129(197)152-81(19)114(182)164-98(69-103(143)178)136(204)174-60-39-51-100(174)128(196)165-99(71-208)126(194)168-107(75(10)11)130(198)157-91(138(206)207)47-34-35-56-141/h25-33,41-46,72-82,86-101,106-113,148,176,208H,22-24,34-40,47-71,141H2,1-21H3,(H2,142,177)(H2,143,178)(H,151,183)(H,152,197)(H,153,179)(H,154,185)(H,155,189)(H,156,200)(H,157,198)(H,158,190)(H,159,184)(H,160,188)(H,161,195)(H,162,199)(H,163,201)(H,164,182)(H,165,196)(H,166,186)(H,167,191)(H,168,194)(H,169,187)(H,170,192)(H,171,202)(H,172,203)(H,173,193)(H,180,181)(H,206,207)(H4,144,145,149)(H4,146,147,150)/t78-,79-,80-,81-,82+,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,106-,107-,108-,109-,110-,111-,112-,113-/m0/s1

InChIKey

BFOSVPXVFPWIQB-UBQJUIRTSA-N

Compound name

(2S)-6-amino-2-[[(2S)-2-[[(2R)-2-[[(2S)-1-[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S,3R)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-5-carbamimidamido-2-[[(2S,3S)-3-methyl-2-[[(2S)-2-[[(2S)-3-methyl-2-[[(2S)-4-methyl-2-[[(2S)-3-phenyl-2-[[(2S)-pyrrolidine-2-carbonyl]amino]propanoyl]amino]pentanoyl]amino]butanoyl]amino]-3-phenylpropanoyl]amino]pentanoyl]amino]pentanoyl]amino]-4-carboxybutanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-4-methylsulfanylbutanoyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]-4-oxobutanoyl]pyrrolidine-2-carbonyl]amino]-3-sulfanylpropanoyl]amino]-3-methylbutanoyl]amino]hexanoic acid

Related CIDs

• CID 16186182