Ac-gnnktiifkq ssggdpeivt hsfncggeff yc-nh2

Structural Information

Molecular Formula

C₁₅₇H₂₂₉N₄₁O₄₉S₂

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CS)C(=O)NCC(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N[C@@H](CC5=CC=C(C=C5)O)C(=O)N[C@@H](CS)C(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]6CCCN6C(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC7=CC=CC=C7)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)CNC(=O)C

InChI

InChI=1S/C157H229N41O49S2/c1-12-79(6)126(194-154(244)128(81(8)14-3)195-156(246)130(83(10)203)196-137(227)93(41-28-30-54-159)176-146(236)104(63-115(162)208)184-145(235)103(62-114(161)207)173-119(212)69-166-84(11)204)152(242)185-101(59-88-38-25-18-26-39-88)139(229)175-92(40-27-29-53-158)134(224)177-95(47-50-113(160)206)136(226)188-109(74-201)149(239)187-107(72-199)132(222)169-67-117(210)168-71-121(214)174-106(65-124(219)220)157(247)198-55-31-42-112(198)150(240)178-96(49-52-123(217)218)138(228)193-127(80(7)13-2)153(243)192-125(78(4)5)151(241)197-129(82(9)202)155(245)186-102(61-90-66-165-77-171-90)144(234)189-108(73-200)148(238)182-99(58-87-36-23-17-24-37-87)142(232)183-105(64-116(163)209)147(237)191-111(76-249)133(223)170-68-118(211)167-70-120(213)172-94(48-51-122(215)216)135(225)179-97(56-85-32-19-15-20-33-85)140(230)180-98(57-86-34-21-16-22-35-86)141(231)181-100(60-89-43-45-91(205)46-44-89)143(233)190-110(75-248)131(164)221/h15-26,32-39,43-46,66,77-83,92-112,125-130,199-203,205,248-249H,12-14,27-31,40-42,47-65,67-76,158-159H2,1-11H3,(H2,160,206)(H2,161,207)(H2,162,208)(H2,163,209)(H2,164,221)(H,165,171)(H,166,204)(H,167,211)(H,168,210)(H,169,222)(H,170,223)(H,172,213)(H,173,212)(H,174,214)(H,175,229)(H,176,236)(H,177,224)(H,178,240)(H,179,225)(H,180,230)(H,181,231)(H,182,238)(H,183,232)(H,184,235)(H,185,242)(H,186,245)(H,187,239)(H,188,226)(H,189,234)(H,190,233)(H,191,237)(H,192,243)(H,193,228)(H,194,244)(H,195,246)(H,196,227)(H,197,241)(H,215,216)(H,217,218)(H,219,220)/t79-,80-,81-,82+,83+,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,125-,126-,127-,128-,129-,130-/m0/s1

InChIKey

MNJIDHOXQMCSOY-JCYIZUSMSA-N

Compound name

(4S)-4-[[2-[[2-[[(2R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-acetamidoacetyl)amino]-4-amino-4-oxobutanoyl]amino]-4-amino-4-oxobutanoyl]amino]-6-aminohexanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-6-aminohexanoyl]amino]-5-amino-5-oxopentanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]acetyl]amino]-3-carboxypropanoyl]pyrrolidine-2-carbonyl]amino]-4-carboxybutanoyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]-3-hydroxybutanoyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]amino]-4-amino-4-oxobutanoyl]amino]-3-sulfanylpropanoyl]amino]acetyl]amino]acetyl]amino]-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-amino-1-oxo-3-sulfanylpropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16204871