CID 71597735

Glprkilaaiakkkgkakgplklvaka

Structural Information

Molecular Formula
C129H238N38O28
SMILES
CC[C@H](C)[C@@H](C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)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](C)C(=O)O)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]([C@@H](C)CC)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]2CCCN2C(=O)[C@H](CC(C)C)NC(=O)CN
InChI
InChI=1S/C129H238N38O28/c1-21-76(13)103(164-109(175)82(19)144-105(171)78(15)146-119(185)93(64-71(3)4)162-126(192)104(77(14)22-2)165-118(184)91(49-30-38-60-137)157-116(182)92(50-39-61-141-129(139)140)159-123(189)98-52-41-63-167(98)127(193)96(67-74(9)10)151-99(168)68-138)125(191)148-81(18)108(174)154-88(46-27-35-57-134)114(180)156-89(47-28-36-58-135)115(181)155-85(43-24-32-54-131)110(176)142-69-100(169)150-86(44-25-33-55-132)112(178)145-79(16)106(172)152-84(42-23-31-53-130)111(177)143-70-101(170)166-62-40-51-97(166)122(188)161-94(65-72(5)6)120(186)158-90(48-29-37-59-136)117(183)160-95(66-73(7)8)121(187)163-102(75(11)12)124(190)147-80(17)107(173)153-87(45-26-34-56-133)113(179)149-83(20)128(194)195/h71-98,102-104H,21-70,130-138H2,1-20H3,(H,142,176)(H,143,177)(H,144,171)(H,145,178)(H,146,185)(H,147,190)(H,148,191)(H,149,179)(H,150,169)(H,151,168)(H,152,172)(H,153,173)(H,154,174)(H,155,181)(H,156,180)(H,157,182)(H,158,186)(H,159,189)(H,160,183)(H,161,188)(H,162,192)(H,163,187)(H,164,175)(H,165,184)(H,194,195)(H4,139,140,141)/t76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-,90-,91-,92-,93-,94-,95-,96-,97-,98-,102-,103-,104-/m0/s1
InChIKey
LXHDJXJLLZWSAE-QKSXZUPSSA-N
Compound name
(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-1-[2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-6-amino-2-[[2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-1-[(2S)-2-[(2-aminoacetyl)amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-5-carbamimidamidopentanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]amino]propanoyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]hexanoyl]amino]hexanoyl]amino]hexanoyl]amino]acetyl]amino]hexanoyl]amino]propanoyl]amino]hexanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]hexanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]propanoyl]amino]hexanoyl]amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

2767.8367 Da
Monoisotopic Mass

-4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 2768.8440 468.6
[M+Na]+ 2790.8259 446.6
[M-H]- 2766.8294 464.3
[M+NH4]+ 2785.8705 453.1
[M+K]+ 2806.7999 446.5
[M+H-H2O]+ 2750.8340 444.8
[M+HCOO]- 2812.8349 446.3
[M+CH3COO]- 2826.8506 441.4
[M+Na-2H]- 2788.8114 464.7
[M]+ 2767.8362 392.7
[M]- 2767.8372 392.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.