Ac-gkamyappis gqircssnit gllltrdgg-nh2

Structural Information

Molecular Formula

C₁₂₉H₂₁₇N₃₉O₄₀S₂

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](CCC(=O)N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CS)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H]([C@@H](C)O)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)NCC(=O)NCC(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]2CCCN2C(=O)[C@H](C)NC(=O)[C@H](CC3=CC=C(C=C3)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](C)NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)C

InChI

InChI=1S/C129H217N39O40S2/c1-19-64(10)99(162-111(192)77(37-38-91(131)176)148-96(181)55-143-106(187)85(57-169)160-123(204)100(65(11)20-2)164-120(201)89-31-26-43-167(89)127(208)90-32-27-44-168(90)126(207)68(14)146-112(193)82(49-72-33-35-73(175)36-34-72)155-110(191)78(39-45-210-18)150-104(185)67(13)145-107(188)74(28-22-23-40-130)147-95(180)54-140-71(17)174)122(203)151-76(30-25-42-139-129(136)137)109(190)161-88(60-209)119(200)159-87(59-171)118(199)158-86(58-170)117(198)156-83(50-92(132)177)116(197)163-101(66(12)21-3)124(205)166-102(69(15)172)121(202)144-56-97(182)149-79(46-61(4)5)113(194)153-80(47-62(6)7)114(195)154-81(48-63(8)9)115(196)165-103(70(16)173)125(206)152-75(29-24-41-138-128(134)135)108(189)157-84(51-98(183)184)105(186)142-53-94(179)141-52-93(133)178/h33-36,61-70,74-90,99-103,169-173,175,209H,19-32,37-60,130H2,1-18H3,(H2,131,176)(H2,132,177)(H2,133,178)(H,140,174)(H,141,179)(H,142,186)(H,143,187)(H,144,202)(H,145,188)(H,146,193)(H,147,180)(H,148,181)(H,149,182)(H,150,185)(H,151,203)(H,152,206)(H,153,194)(H,154,195)(H,155,191)(H,156,198)(H,157,189)(H,158,199)(H,159,200)(H,160,204)(H,161,190)(H,162,192)(H,163,197)(H,164,201)(H,165,196)(H,166,205)(H,183,184)(H4,134,135,138)(H4,136,137,139)/t64-,65-,66-,67-,68-,69+,70+,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,99-,100-,101-,102-,103-/m0/s1

InChIKey

QVMODSSWQOCFLH-DVIUHKQSSA-N

Compound name

(3S)-3-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S,3R)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2R)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-1-[(2S)-1-[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[(2-acetamidoacetyl)amino]-6-aminohexanoyl]amino]propanoyl]amino]-4-methylsulfanylbutanoyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]propanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]acetyl]amino]-5-amino-5-oxopentanoyl]amino]-3-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-3-sulfanylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-hydroxypropanoyl]amino]-4-amino-4-oxobutanoyl]amino]-3-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]acetyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-4-oxobutanoic acid

Related CIDs

• CID 16204874