Schembl30744272

Structural Information

Molecular Formula

C₁₅₃H₂₄₅N₄₁O₅₃

SMILES

CC[C@H](C)[C@@H](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)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C(=O)N[C@@H](C)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(C)C)C(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CC3=CN=CN3)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CC(C)C)NC(=O)C

InChI

InChI=1S/C153H245N41O53/c1-19-76(15)123(194-148(242)101(58-75(13)14)184-151(245)109(68-197)192-143(237)103(60-81-65-163-69-165-81)189-153(247)124(77(16)20-2)193-147(241)97(54-71(5)6)167-79(18)198)152(246)179-95(40-50-121(215)216)134(228)174-94(39-49-120(213)214)138(232)191-108(67-196)149(243)178-89(34-44-113(159)202)135(229)187-105(62-115(161)204)144(238)175-88(33-43-112(158)201)131(225)170-86(31-41-110(156)199)129(223)172-90(35-45-116(205)206)132(226)168-84(29-23-25-51-154)128(222)186-104(61-114(160)203)145(239)177-91(36-46-117(207)208)133(227)171-87(32-42-111(157)200)130(224)173-92(37-47-118(209)210)136(230)181-99(56-73(9)10)141(235)183-98(55-72(7)8)140(234)176-93(38-48-119(211)212)137(231)182-100(57-74(11)12)142(236)188-106(63-122(217)218)146(240)169-85(30-24-26-52-155)127(221)185-102(59-80-64-164-83-28-22-21-27-82(80)83)139(233)166-78(17)126(220)190-107(66-195)150(244)180-96(125(162)219)53-70(3)4/h21-22,27-28,64-65,69-78,84-109,123-124,164,195-197H,19-20,23-26,29-63,66-68,154-155H2,1-18H3,(H2,156,199)(H2,157,200)(H2,158,201)(H2,159,202)(H2,160,203)(H2,161,204)(H2,162,219)(H,163,165)(H,166,233)(H,167,198)(H,168,226)(H,169,240)(H,170,225)(H,171,227)(H,172,223)(H,173,224)(H,174,228)(H,175,238)(H,176,234)(H,177,239)(H,178,243)(H,179,246)(H,180,244)(H,181,230)(H,182,231)(H,183,235)(H,184,245)(H,185,221)(H,186,222)(H,187,229)(H,188,236)(H,189,247)(H,190,220)(H,191,232)(H,192,237)(H,193,241)(H,194,242)(H,205,206)(H,207,208)(H,209,210)(H,211,212)(H,213,214)(H,215,216)(H,217,218)/t76-,77-,78-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,123-,124-/m0/s1

InChIKey

SCSXLGNRWBTECL-FZFUZYHSSA-N

Compound name

(4S)-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-acetamido-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-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-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 16197469