Ac-nqqekneqelleldkwaslwnwf-nh2

Structural Information

Molecular Formula

C₁₄₂H₂₀₅N₃₇O₄₃

SMILES

C[C@@H](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)N)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)N[C@@H](CC5=CC=CC=C5)C(=O)N)NC(=O)[C@H](CC6=CNC7=CC=CC=C76)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCC(=O)N)NC(=O)C

InChI

InChI=1S/C142H205N37O43/c1-68(2)52-95(170-133(213)96(53-69(3)4)168-129(209)92(40-48-116(193)194)163-125(205)88(36-44-109(147)184)161-128(208)91(39-47-115(191)192)166-139(219)102(60-111(149)186)175-122(202)84(32-20-22-50-143)158-127(207)90(38-46-114(189)190)162-124(204)87(35-43-108(146)183)160-126(206)89(37-45-110(148)185)164-138(218)103(61-112(150)187)176-123(203)86(157-73(10)181)34-42-107(145)182)132(212)165-93(41-49-117(195)196)130(210)169-97(54-70(5)6)135(215)178-105(63-118(197)198)141(221)159-85(33-21-23-51-144)121(201)172-99(57-75-64-153-81-29-17-14-26-78(75)81)131(211)156-72(9)120(200)179-106(67-180)142(222)171-98(55-71(7)8)134(214)173-101(59-77-66-155-83-31-19-16-28-80(77)83)137(217)177-104(62-113(151)188)140(220)174-100(58-76-65-154-82-30-18-15-27-79(76)82)136(216)167-94(119(152)199)56-74-24-12-11-13-25-74/h11-19,24-31,64-66,68-72,84-106,153-155,180H,20-23,32-63,67,143-144H2,1-10H3,(H2,145,182)(H2,146,183)(H2,147,184)(H2,148,185)(H2,149,186)(H2,150,187)(H2,151,188)(H2,152,199)(H,156,211)(H,157,181)(H,158,207)(H,159,221)(H,160,206)(H,161,208)(H,162,204)(H,163,205)(H,164,218)(H,165,212)(H,166,219)(H,167,216)(H,168,209)(H,169,210)(H,170,213)(H,171,222)(H,172,201)(H,173,214)(H,174,220)(H,175,202)(H,176,203)(H,177,217)(H,178,215)(H,179,200)(H,189,190)(H,191,192)(H,193,194)(H,195,196)(H,197,198)/t72-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-/m0/s1

InChIKey

MIFAOVKEUIUYHK-QSWJSPCTSA-N

Compound name

(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-acetamido-5-amino-5-oxopentanoyl]amino]-4-amino-4-oxobutanoyl]amino]-5-amino-5-oxopentanoyl]amino]-5-amino-5-oxopentanoyl]amino]-5-[[(2S)-6-amino-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-4-amino-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1,4-dioxobutan-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]-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16130193