Cfpyitrpgpikewwytrknro

Structural Information

Molecular Formula

C₁₄₀H₂₀₆N₃₈O₃₁S

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)N[C@@H](CC5=CC=C(C=C5)O)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCNC(=O)[C@H]6C(CC=N6)C)C(=O)O)NC(=O)[C@@H]7CCCN7C(=O)CNC(=O)[C@@H]8CCCN8C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC9=CC=C(C=C9)O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC1=CC=CC=C1)NC(=O)[C@H](CS)N

InChI

InChI=1S/C140H206N38O31S/c1-8-75(3)112(173-129(200)106-42-26-62-176(106)109(184)73-158-127(198)105-41-27-63-177(105)135(206)97(40-25-60-155-140(149)150)164-134(205)115(79(7)180)175-132(203)113(76(4)9-2)172-125(196)100(66-82-46-50-86(182)51-47-82)170-128(199)107-43-28-64-178(107)136(207)104(171-116(187)89(143)74-210)67-80-29-11-10-12-30-80)131(202)162-93(36-18-21-56-142)117(188)161-96(52-53-110(185)186)121(192)167-101(68-83-71-156-90-33-15-13-31-87(83)90)123(194)168-102(69-84-72-157-91-34-16-14-32-88(84)91)122(193)166-99(65-81-44-48-85(181)49-45-81)126(197)174-114(78(6)179)133(204)163-95(39-24-59-154-139(147)148)118(189)159-92(35-17-20-55-141)120(191)169-103(70-108(144)183)124(195)160-94(38-23-58-153-138(145)146)119(190)165-98(137(208)209)37-19-22-57-152-130(201)111-77(5)54-61-151-111/h10-16,29-34,44-51,61,71-72,75-79,89,92-107,111-115,156-157,179-182,210H,8-9,17-28,35-43,52-60,62-70,73-74,141-143H2,1-7H3,(H2,144,183)(H,152,201)(H,158,198)(H,159,189)(H,160,195)(H,161,188)(H,162,202)(H,163,204)(H,164,205)(H,165,190)(H,166,193)(H,167,192)(H,168,194)(H,169,191)(H,170,199)(H,171,187)(H,172,196)(H,173,200)(H,174,197)(H,175,203)(H,185,186)(H,208,209)(H4,145,146,153)(H4,147,148,154)(H4,149,150,155)/t75-,76-,77?,78+,79+,89-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,111+,112-,113-,114-,115-/m0/s1

InChIKey

XQDJYSMLDIGEJF-XQEMMXTRSA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-1-[2-[[(2S)-1-[(2S)-2-[[(2S,3R)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2R)-2-amino-3-sulfanylpropanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]-4-carboxybutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]-5-carbamimidamidopentanoyl]amino]hexanoyl]amino]-4-oxobutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-6-[[(2R)-3-methyl-3,4-dihydro-2H-pyrrole-2-carbonyl]amino]hexanoic acid

Related CIDs

• CID 71597188