Wmewdreinnytslihslieesqnqq

Structural Information

Molecular Formula

C₁₄₂H₂₁₁N₃₉O₄₈S

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)N)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](CO)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC2=CN=CN2)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)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](CO)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC3=CNC4=CC=CC=C43)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CC5=CNC6=CC=CC=C65)N

InChI

InChI=1S/C142H211N39O48S/c1-13-66(8)112(137(224)164-85(35-42-109(197)198)118(205)159-84(34-41-108(195)196)122(209)175-98(60-182)134(221)163-82(31-38-102(145)188)120(207)170-94(53-104(147)190)127(214)162-81(30-37-101(144)187)119(206)165-88(141(228)229)32-39-103(146)189)179-131(218)89(47-64(4)5)166-135(222)99(61-183)176-126(213)93(52-73-59-152-63-156-73)173-138(225)114(68(10)15-3)180-132(219)90(48-65(6)7)167-136(223)100(62-184)177-140(227)115(69(11)185)181-133(220)91(49-70-26-28-74(186)29-27-70)168-128(215)95(54-105(148)191)171-129(216)96(55-106(149)192)174-139(226)113(67(9)14-2)178-124(211)86(36-43-110(199)200)161-117(204)80(25-20-45-153-142(150)151)158-130(217)97(56-111(201)202)172-125(212)92(51-72-58-155-79-24-19-17-22-76(72)79)169-121(208)83(33-40-107(193)194)160-123(210)87(44-46-230-12)157-116(203)77(143)50-71-57-154-78-23-18-16-21-75(71)78/h16-19,21-24,26-29,57-59,63-69,77,80-100,112-115,154-155,182-186H,13-15,20,25,30-56,60-62,143H2,1-12H3,(H2,144,187)(H2,145,188)(H2,146,189)(H2,147,190)(H2,148,191)(H2,149,192)(H,152,156)(H,157,203)(H,158,217)(H,159,205)(H,160,210)(H,161,204)(H,162,214)(H,163,221)(H,164,224)(H,165,206)(H,166,222)(H,167,223)(H,168,215)(H,169,208)(H,170,207)(H,171,216)(H,172,212)(H,173,225)(H,174,226)(H,175,209)(H,176,213)(H,177,227)(H,178,211)(H,179,218)(H,180,219)(H,181,220)(H,193,194)(H,195,196)(H,197,198)(H,199,200)(H,201,202)(H,228,229)(H4,150,151,153)/t66-,67-,68-,69+,77-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,112-,113-,114-,115-/m0/s1

InChIKey

VEZUQFLEONDSEU-IQUSYKARSA-N

Compound name

(2S)-5-amino-2-[[(2S)-5-amino-2-[[(2S)-4-amino-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-4-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-carboxybutanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-carboxypropanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-carboxybutanoyl]amino]-3-methylpentanoyl]amino]-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-4-carboxybutanoyl]amino]-4-carboxybutanoyl]amino]-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoyl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16197570