Ac-ctdlkndtnt nsssgrmime kgeiknc-nh2

Structural Information

Molecular Formula

C₁₁₉H₂₀₄N₃₈O₄₆S₄

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CS)C(=O)N)NC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H]([C@@H](C)O)NC(=O)[C@H](CS)NC(=O)C

InChI

InChI=1S/C119H204N38O46S4/c1-13-53(5)89(114(199)140-62(24-17-20-34-122)99(184)144-69(40-80(124)166)107(192)152-77(50-204)94(127)179)153-102(187)63(26-28-85(171)172)135-84(170)45-131-95(180)59(22-15-18-32-120)136-100(185)64(27-29-86(173)174)138-101(186)65(30-36-206-11)141-115(200)90(54(6)14-2)154-103(188)66(31-37-207-12)139-97(182)60(25-21-35-130-119(128)129)134-83(169)46-132-96(181)74(47-158)149-111(196)76(49-160)151-112(197)75(48-159)150-106(191)70(41-81(125)167)146-116(201)91(55(7)161)155-109(194)71(42-82(126)168)147-117(202)92(56(8)162)156-110(195)73(44-88(177)178)145-105(190)68(39-79(123)165)143-98(183)61(23-16-19-33-121)137-104(189)67(38-52(3)4)142-108(193)72(43-87(175)176)148-118(203)93(57(9)163)157-113(198)78(51-205)133-58(10)164/h52-57,59-78,89-93,158-163,204-205H,13-51,120-122H2,1-12H3,(H2,123,165)(H2,124,166)(H2,125,167)(H2,126,168)(H2,127,179)(H,131,180)(H,132,181)(H,133,164)(H,134,169)(H,135,170)(H,136,185)(H,137,189)(H,138,186)(H,139,182)(H,140,199)(H,141,200)(H,142,193)(H,143,183)(H,144,184)(H,145,190)(H,146,201)(H,147,202)(H,148,203)(H,149,196)(H,150,191)(H,151,197)(H,152,192)(H,153,187)(H,154,188)(H,155,194)(H,156,195)(H,157,198)(H,171,172)(H,173,174)(H,175,176)(H,177,178)(H4,128,129,130)/t53-,54-,55+,56+,57+,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,89-,90-,91-,92-,93-/m0/s1

InChIKey

RHIGVARXIWOGSZ-VYAQNIOOSA-N

Compound name

(4S)-4-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2R)-2-acetamido-3-sulfanylpropanoyl]amino]-3-hydroxybutanoyl]amino]-3-carboxypropanoyl]amino]-4-methylpentanoyl]amino]-6-aminohexanoyl]amino]-4-amino-4-oxobutanoyl]amino]-3-carboxypropanoyl]amino]-3-hydroxybutanoyl]amino]-4-amino-4-oxobutanoyl]amino]-3-hydroxybutanoyl]amino]-4-amino-4-oxobutanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-methylpentanoyl]amino]-4-methylsulfanylbutanoyl]amino]-4-carboxybutanoyl]amino]-6-aminohexanoyl]amino]acetyl]amino]-5-[[(2S,3S)-1-[[(2S)-6-amino-1-[[(2S)-4-amino-1-[[(2R)-1-amino-1-oxo-3-sulfanylpropan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid

Related CIDs

• CID 16204864