(4s)-4-[[(2s)-6-amino-2-[[(2s)-2-[[(2s)-2-[[(2s,3r)-2-[[(2s)-6-amino-2-[[(2s,3r)-2-[[(2s,3s)-2-[[(2s)-2-[[(2s)-6-amino-2-[[(2s)-2-[[(2s)-2-[[2-[[(2s)-6-amino-2-[[(2s,3s)-2-[[(2s)-2-[[(2s)-2-[[(2s)-2-[[(2s,3s)-2-[(2-aminoacetyl)amino]-3-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]acetyl]amino]propanoyl]amino]propanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]hexanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]hexanoyl]amino]-5-[[(2s)-1-[[2-[[(2s)-6-amino-1-[[(2s,3r)-1-[[2-[[(2s)-1-[[(2s)-1-[[(2s)-1-[[(2s)-1-[[(2s)-1-[[(2r)-1-[[(2s)-6-amino-1-[[(2s)-1-[[(2s,3r)-1-[[(2s)-4-amino-1-[[(2s)-5-amino-1-[[(1r)-1-carboxy-2-sulfanylethyl]amino]-1,5-dioxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Structural Information

Molecular Formula

C₁₆₉H₂₉₅N₄₅O₄₉S₃

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)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](CCCCN)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](C)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=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](CCSC)C(=O)N[C@@H](C)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H](CS)C(=O)O)NC(=O)CN

InChI

InChI=1S/C169H295N45O49S3/c1-29-88(16)130(206-122(222)75-176)163(256)201-115(73-100-47-33-32-34-48-100)154(247)203-117(79-215)158(251)200-114(72-85(10)11)157(250)209-131(89(17)30-2)164(257)196-101(49-35-41-62-170)142(235)180-76-123(223)182-92(20)138(231)183-93(21)139(232)190-104(52-38-44-65-173)146(239)199-113(71-84(8)9)156(249)210-132(90(18)31-3)165(258)214-134(97(25)217)166(259)197-106(54-40-46-67-175)151(244)212-136(99(27)219)168(261)208-128(86(12)13)161(254)186-95(23)140(233)189-103(51-37-43-64-172)145(238)192-108(56-59-126(226)227)143(236)184-91(19)137(230)179-77-124(224)187-102(50-36-42-63-171)149(242)211-133(96(24)216)160(253)181-78-125(225)188-111(69-82(4)5)152(245)194-109(57-60-127(228)229)147(240)198-112(70-83(6)7)153(246)195-110(61-68-266-28)144(237)185-94(22)141(234)204-118(80-264)159(252)191-105(53-39-45-66-174)150(243)207-129(87(14)15)162(255)213-135(98(26)218)167(260)202-116(74-121(178)221)155(248)193-107(55-58-120(177)220)148(241)205-119(81-265)169(262)263/h32-34,47-48,82-99,101-119,128-136,215-219,264-265H,29-31,35-46,49-81,170-176H2,1-28H3,(H2,177,220)(H2,178,221)(H,179,230)(H,180,235)(H,181,253)(H,182,223)(H,183,231)(H,184,236)(H,185,237)(H,186,254)(H,187,224)(H,188,225)(H,189,233)(H,190,232)(H,191,252)(H,192,238)(H,193,248)(H,194,245)(H,195,246)(H,196,257)(H,197,259)(H,198,240)(H,199,239)(H,200,251)(H,201,256)(H,202,260)(H,203,247)(H,204,234)(H,205,241)(H,206,222)(H,207,243)(H,208,261)(H,209,250)(H,210,249)(H,211,242)(H,212,244)(H,213,255)(H,214,258)(H,226,227)(H,228,229)(H,262,263)/t88-,89-,90-,91-,92-,93-,94-,95-,96+,97+,98+,99+,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,128-,129-,130-,131-,132-,133-,134-,135-,136-/m0/s1

InChIKey

VREMQFIKEYGOTM-BVKJCQJTSA-N

Compound name

(4S)-4-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-6-amino-2-[[(2S,3R)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-6-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[(2-aminoacetyl)amino]-3-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]hexanoyl]amino]acetyl]amino]propanoyl]amino]propanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]hexanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]hexanoyl]amino]-5-[[(2S)-1-[[2-[[(2S)-6-amino-1-[[(2S,3R)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2R)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S,3R)-1-[[(2S)-4-amino-1-[[(2S)-5-amino-1-[[(1R)-1-carboxy-2-sulfanylethyl]amino]-1,5-dioxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxo-3-sulfanylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-2-oxoethyl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 71592156