Nh2-ala-leu-trp-lys-thr-leu-leu-lys-lys-val-leu-lys-ala-ala-ala-lys-ala-ala-leu-asn-ala-val-leu-val-gly-ala-asn-ala-nh2

Structural Information

Molecular Formula

C₁₃₃H₂₃₃N₃₇O₃₁

SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N)C(=O)N[C@@H](C)C(=O)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC1=CNC2=CC=CC=C21)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)N)O

InChI

InChI=1S/C133H233N37O31/c1-64(2)53-91(158-108(176)73(19)139)125(193)162-97(59-83-62-143-85-42-30-29-41-84(83)85)128(196)157-90(47-35-40-52-138)120(188)170-106(82(28)171)133(201)166-95(57-68(9)10)127(195)161-93(55-66(5)6)123(191)156-88(45-33-38-50-136)118(186)154-89(46-34-39-51-137)119(187)169-105(72(17)18)132(200)164-94(56-67(7)8)124(192)155-87(44-32-37-49-135)117(185)151-77(23)110(178)147-76(22)109(177)148-79(25)113(181)153-86(43-31-36-48-134)116(184)150-78(24)111(179)149-80(26)114(182)159-92(54-65(3)4)126(194)163-99(61-101(141)173)122(190)152-81(27)115(183)167-104(71(15)16)131(199)165-96(58-69(11)12)129(197)168-103(70(13)14)130(198)144-63-102(174)145-75(21)112(180)160-98(60-100(140)172)121(189)146-74(20)107(142)175/h29-30,41-42,62,64-82,86-99,103-106,143,171H,31-40,43-61,63,134-139H2,1-28H3,(H2,140,172)(H2,141,173)(H2,142,175)(H,144,198)(H,145,174)(H,146,189)(H,147,178)(H,148,177)(H,149,179)(H,150,184)(H,151,185)(H,152,190)(H,153,181)(H,154,186)(H,155,192)(H,156,191)(H,157,196)(H,158,176)(H,159,182)(H,160,180)(H,161,195)(H,162,193)(H,163,194)(H,164,200)(H,165,199)(H,166,201)(H,167,183)(H,168,197)(H,169,187)(H,170,188)/t73-,74-,75-,76-,77-,78-,79-,80-,81-,82+,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,103-,104-,105-,106-/m0/s1

InChIKey

CEOGABMWAZHSCT-AXQMMSBZSA-N

Compound name

(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-4-methylpentanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]propanoyl]amino]propanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]acetyl]amino]propanoyl]amino]-N-[(2S)-1-amino-1-oxopropan-2-yl]butanediamide

Related CIDs

• CID 16133675