Riletamotide

CAT: 0931-T81274-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0931-T81274-02Size:50 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

524061-04-9

Bioactivity

Riletamotide is an agent utilized for active immunization within the immunological domain [1].

Smiles

[C@@H](CC1=CC=CC=C1)(NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@@H](NC([C@H](C)N)=O)CCC(O)=O)=O)CCCNC(=N)N)=O)CC(C)C)=O)[C@@H](C)O)=O)CO)=O)CCCNC(=N)N)=O)C(C)C)=O)CCCCN)=O)C)=O)CC(C)C)=O)C(N[C@H](C(N[C@H](C(N[C@@H](CC(C)C)C(O)=O)=O)C(C)C)=O)CO)=O

Molecular Formula

C76H132N22O21

Molecular Weight

1690

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Riletamotide

CAS Number	524061-04-9
PubChem CID	137331946
IUPAC Name	(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-aminopropanoyl]amino]-4-carboxybutanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-hydroxypropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-3-methylbutanoyl]amino]hexanoyl]amino]propanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-3-hydroxypropanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoic acid
Molecular Formula	C76H132N22O21
Molecular Weight	1690.0
XLogP	-7.2
Topological Polar Surface Area	724
Hydrogen Bond Donor Count	25
Hydrogen Bond Acceptor Count	25
Rotatable Bond Count	57
Heavy Atom Count	119
Formal Charge	0
Complexity	3390

SMILES

C[C@H]([C@@H](C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N[C@@H](CO)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)N)O

InChI

InChI=1S/C76H132N22O21/c1-37(2)31-50(66(110)92-52(34-45-21-15-14-16-22-45)67(111)94-55(36-100)70(114)97-58(41(9)10)72(116)93-53(74(118)119)33-39(5)6)90-61(105)43(12)85-62(106)46(23-17-18-28-77)89-71(115)57(40(7)8)96-65(109)48(25-20-30-84-76(81)82)88-69(113)54(35-99)95-73(117)59(44(13)101)98-68(112)51(32-38(3)4)91-63(107)47(24-19-29-83-75(79)80)87-64(108)49(26-27-56(102)103)86-60(104)42(11)78/h14-16,21-22,37-44,46-55,57-59,99-101H,17-20,23-36,77-78H2,1-13H3,(H,85,106)(H,86,104)(H,87,108)(H,88,113)(H,89,115)(H,90,105)(H,91,107)(H,92,110)(H,93,116)(H,94,111)(H,95,117)(H,96,109)(H,97,114)(H,98,112)(H,102,103)(H,118,119)(H4,79,80,83)(H4,81,82,84)/t42-,43-,44+,46-,47-,48-,49-,50-,51-,52-,53-,54-,55-,57-,58-,59-/m0/s1

InChIKey

ZOLSANOADKDRJU-LCSFIVLASA-N

Chemical Structure

2D Structure

CAS: 524061-04-9

CID: 137331946

Formula: C76H132N22O21

MW: 1690.0

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	1690.0
XLogP3	-7.2
Hydrogen Bond Donor Count	25
Hydrogen Bond Acceptor Count	25
Rotatable Bond Count	57
Exact Mass	1688.99373931
Monoisotopic Mass	1688.99373931
Topological Polar Surface Area	724 Å²
Heavy Atom Count	119
Formal Charge	0
Complexity	3390
Isotope Atom Count	0
Defined Atom Stereocenter Count	16
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
HY-P10022	Riletamotide

Riletamotide

Chemical Information

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