Nvktiivqlnqsveinctrpnnntrk

Structural Information

Molecular Formula

C₁₂₅H₂₁₈N₄₂O₄₁S

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CS)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CO)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](CC(=O)N)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(=O)N)NC(=O)[C@H](C(C)C)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](C(C)C)NC(=O)[C@H](CC(=O)N)N

InChI

InChI=1S/C125H218N42O41S/c1-18-57(12)92(116(200)155-75(49-86(135)178)108(192)157-78(52-209)111(195)166-96(61(16)170)120(204)148-69(31-26-42-142-125(139)140)122(206)167-43-27-32-79(167)112(196)154-74(48-85(134)177)107(191)152-73(47-84(133)176)106(190)153-76(50-87(136)179)109(193)165-95(60(15)169)119(203)145-65(30-25-41-141-124(137)138)99(183)149-70(123(207)208)29-22-24-40-127)161-103(187)68(35-38-88(180)181)147-114(198)90(55(8)9)159-110(194)77(51-168)156-101(185)66(33-36-80(129)172)143-105(189)72(46-83(132)175)151-104(188)71(44-53(4)5)150-100(184)67(34-37-81(130)173)146-115(199)91(56(10)11)160-117(201)93(58(13)19-2)162-118(202)94(59(14)20-3)163-121(205)97(62(17)171)164-102(186)64(28-21-23-39-126)144-113(197)89(54(6)7)158-98(182)63(128)45-82(131)174/h53-79,89-97,168-171,209H,18-52,126-128H2,1-17H3,(H2,129,172)(H2,130,173)(H2,131,174)(H2,132,175)(H2,133,176)(H2,134,177)(H2,135,178)(H2,136,179)(H,143,189)(H,144,197)(H,145,203)(H,146,199)(H,147,198)(H,148,204)(H,149,183)(H,150,184)(H,151,188)(H,152,191)(H,153,190)(H,154,196)(H,155,200)(H,156,185)(H,157,192)(H,158,182)(H,159,194)(H,160,201)(H,161,187)(H,162,202)(H,163,205)(H,164,186)(H,165,193)(H,166,195)(H,180,181)(H,207,208)(H4,137,138,141)(H4,139,140,142)/t57-,58-,59-,60+,61+,62+,63-,64-,65-,66-,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,89-,90-,91-,92-,93-,94-,95-,96-,97-/m0/s1

InChIKey

APZPYHLVAAKEJZ-CCZVJJSMSA-N

Compound name

(2S)-6-amino-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-4-amino-2-[[(2S)-4-amino-2-[[(2S)-4-amino-2-[[(2S)-1-[(2S)-2-[[(2S,3R)-2-[[(2R)-2-[[(2S)-4-amino-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-[[(2S,3S)-2-[[(2S,3S)-2-[[(2S,3R)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2,4-diamino-4-oxobutanoyl]amino]-3-methylbutanoyl]amino]hexanoyl]amino]-3-hydroxybutanoyl]amino]-3-methylpentanoyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]-5-oxopentanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]-5-oxopentanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylbutanoyl]amino]-4-carboxybutanoyl]amino]-3-methylpentanoyl]amino]-4-oxobutanoyl]amino]-3-sulfanylpropanoyl]amino]-3-hydroxybutanoyl]amino]-5-carbamimidamidopentanoyl]pyrrolidine-2-carbonyl]amino]-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]-4-oxobutanoyl]amino]-3-hydroxybutanoyl]amino]-5-carbamimidamidopentanoyl]amino]hexanoic acid

Related CIDs

• CID 16197704