CID 16186123
(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-[[(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]propanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]propanoic acid
Structural Information
- Molecular Formula
- C204H292N44O34
- 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)N[C@@H](CC9=CC=CC=C9)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)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](CC1=CC=CC=C1)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC1=CC=CC=C1)N
- InChI
- InChI=1S/C204H292N44O34/c1-127(217-182(259)150(93-47-58-104-205)227-181(258)149(216)115-137-69-23-11-24-70-137)172(249)238-161(116-138-71-25-12-26-72-138)193(270)228-151(94-48-59-105-206)183(260)218-128(2)173(250)239-162(117-139-73-27-13-28-74-139)194(271)229-152(95-49-60-106-207)184(261)219-129(3)174(251)240-163(118-140-75-29-14-30-76-140)195(272)231-154(97-51-62-108-209)186(263)221-132(6)177(254)243-166(121-143-81-35-17-36-82-143)198(275)234-157(100-54-65-111-212)189(266)224-135(9)180(257)246-169(124-146-87-41-20-42-88-146)201(278)237-160(103-57-68-114-215)192(269)247-171(126-148-91-45-22-46-92-148)203(280)248-170(125-147-89-43-21-44-90-147)202(279)235-158(101-55-66-112-213)190(267)225-134(8)178(255)244-167(122-144-83-37-18-38-84-144)199(276)232-155(98-52-63-109-210)187(264)222-131(5)175(252)241-164(119-141-77-31-15-32-78-141)196(273)230-153(96-50-61-107-208)185(262)220-130(4)176(253)242-165(120-142-79-33-16-34-80-142)197(274)233-156(99-53-64-110-211)188(265)223-133(7)179(256)245-168(123-145-85-39-19-40-86-145)200(277)236-159(102-56-67-113-214)191(268)226-136(10)204(281)282/h11-46,69-92,127-136,149-171H,47-68,93-126,205-216H2,1-10H3,(H,217,259)(H,218,260)(H,219,261)(H,220,262)(H,221,263)(H,222,264)(H,223,265)(H,224,266)(H,225,267)(H,226,268)(H,227,258)(H,228,270)(H,229,271)(H,230,273)(H,231,272)(H,232,276)(H,233,274)(H,234,275)(H,235,279)(H,236,277)(H,237,278)(H,238,249)(H,239,250)(H,240,251)(H,241,252)(H,242,253)(H,243,254)(H,244,255)(H,245,256)(H,246,257)(H,247,269)(H,248,280)(H,281,282)/t127-,128-,129-,130-,131-,132-,133-,134-,135-,136-,149-,150-,151-,152-,153-,154-,155-,156-,157-,158-,159-,160-,161-,162-,163-,164-,165-,166-,167-,168-,169-,170-,171-/m0/s1
- InChIKey
- PRJGHTPIKGOOEF-CZHKTQNESA-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-[[(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]propanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]propanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]propanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 3903.2546 | 285.9 |
[M+Na]+ | 3925.2365 | 277.5 |
[M-H]- | 3901.2400 | 283.7 |
[M+NH4]+ | 3920.2811 | 279.4 |
[M+K]+ | 3941.2105 | 277.7 |
[M+H-H2O]+ | 3885.2446 | 277.9 |
[M+HCOO]- | 3947.2455 | 278.0 |
[M+CH3COO]- | 3961.2612 | 277.8 |
[M+Na-2H]- | 3923.2220 | 290.4 |
[M]+ | 3902.2468 | 246.4 |
[M]- | 3902.2478 | 246.4 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.