161748-29-4

Structural Information

Molecular Formula

C₁₄₀H₂₁₄N₃₆O₄₃

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N)NC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)N)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC4=CC=C(C=C4)O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC5=CC=CC=C5)NC(=O)[C@H]([C@@H](C)O)NC(=O)CNC(=O)[C@H](CCC(=O)O)N

InChI

InChI=1S/C140H214N36O43/c1-16-72(10)112(137(217)155-75(13)118(198)162-97(59-81-61-149-85-35-24-23-34-83(81)85)127(207)164-93(55-69(4)5)128(208)173-110(70(6)7)135(215)161-87(36-25-27-51-141)120(200)151-62-103(184)156-86(115(145)195)38-29-53-148-140(146)147)175-129(209)95(56-78-30-19-17-20-31-78)165-124(204)91(46-50-108(191)192)160-123(203)88(37-26-28-52-142)158-117(197)74(12)153-116(196)73(11)154-122(202)90(44-47-102(144)183)157-104(185)63-152-121(201)89(45-49-107(189)190)159-125(205)92(54-68(2)3)163-126(206)94(58-80-39-41-82(182)42-40-80)166-132(212)99(65-177)169-134(214)101(67-179)170-136(216)111(71(8)9)174-131(211)98(60-109(193)194)167-133(213)100(66-178)171-139(219)114(77(15)181)176-130(210)96(57-79-32-21-18-22-33-79)168-138(218)113(76(14)180)172-105(186)64-150-119(199)84(143)43-48-106(187)188/h17-24,30-35,39-42,61,68-77,84,86-101,110-114,149,177-182H,16,25-29,36-38,43-60,62-67,141-143H2,1-15H3,(H2,144,183)(H2,145,195)(H,150,199)(H,151,200)(H,152,201)(H,153,196)(H,154,202)(H,155,217)(H,156,184)(H,157,185)(H,158,197)(H,159,205)(H,160,203)(H,161,215)(H,162,198)(H,163,206)(H,164,207)(H,165,204)(H,166,212)(H,167,213)(H,168,218)(H,169,214)(H,170,216)(H,171,219)(H,172,186)(H,173,208)(H,174,211)(H,175,209)(H,176,210)(H,187,188)(H,189,190)(H,191,192)(H,193,194)(H4,146,147,148)/t72-,73-,74-,75-,76+,77+,84-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,110-,111-,112-,113-,114-/m0/s1

InChIKey

WPNGPBPCQMDAAD-WRFZDFFOSA-N

Compound name

(4S)-4-amino-5-[[2-[[(2S,3R)-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-[[(2S,3S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-6-amino-1-[[2-[[(2S)-1-amino-5-carbamimidamido-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-2-oxoethyl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-2-oxoethyl]amino]-5-oxopentanoic acid

Related CIDs

• CID 90488821