CID 16186120

F-k-a-f-k-a-f-k-a-f-k-a-f-k-a-f-k-f-f-k-a-f-k-a

Structural Information

Molecular Formula
C150H214N32O25
SMILES
C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC2=CC=CC=C2)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC5=CC=CC=C5)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC6=CC=CC=C6)C(=O)N[C@@H](CC7=CC=CC=C7)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC8=CC=CC=C8)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC9=CC=CC=C9)N
InChI
InChI=1S/C150H214N32O25/c1-94(160-134(190)111(69-35-43-77-151)167-133(189)110(159)85-101-51-17-8-18-52-101)127(183)175-119(86-102-53-19-9-20-54-102)142(198)168-112(70-36-44-78-152)135(191)161-95(2)128(184)176-120(87-103-55-21-10-22-56-103)143(199)169-113(71-37-45-79-153)136(192)162-96(3)129(185)177-121(88-104-57-23-11-24-58-104)144(200)170-114(72-38-46-80-154)137(193)163-97(4)130(186)178-122(89-105-59-25-12-26-60-105)145(201)171-115(73-39-47-81-155)138(194)164-99(6)132(188)180-124(91-107-63-29-14-30-64-107)147(203)174-118(76-42-50-84-158)141(197)181-126(93-109-67-33-16-34-68-109)149(205)182-125(92-108-65-31-15-32-66-108)148(204)172-116(74-40-48-82-156)139(195)165-98(5)131(187)179-123(90-106-61-27-13-28-62-106)146(202)173-117(75-41-49-83-157)140(196)166-100(7)150(206)207/h8-34,51-68,94-100,110-126H,35-50,69-93,151-159H2,1-7H3,(H,160,190)(H,161,191)(H,162,192)(H,163,193)(H,164,194)(H,165,195)(H,166,196)(H,167,189)(H,168,198)(H,169,199)(H,170,200)(H,171,201)(H,172,204)(H,173,202)(H,174,203)(H,175,183)(H,176,184)(H,177,185)(H,178,186)(H,179,187)(H,180,188)(H,181,197)(H,182,205)(H,206,207)/t94-,95-,96-,97-,98-,99-,100-,110-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-/m0/s1
InChIKey
KLDITDADSVQFHC-DZHHTWQUSA-N
Compound name
(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]hexanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

2863.6458 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 2864.6531 319.2
[M+Na]+ 2886.6350 302.5
[M-H]- 2862.6385 319.9
[M+NH4]+ 2881.6796 308.7
[M+K]+ 2902.6090 304.3
[M+H-H2O]+ 2846.6431 295.8
[M+HCOO]- 2908.6440 305.9
[M+CH3COO]- 2922.6597 304.9
[M+Na-2H]- 2884.6205 341.1
[M]+ 2863.6453 258.5
[M]- 2863.6463 258.5
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.