Omramotide

CAT: 0931-T81607-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0931-T81607-01Size:5 mg

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

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CAS Number

2306406-71-1

Bioactivity

Omramotide is an immunological agent utilized for active immunization and possesses antineoplastic properties [1].

Smiles

C([C@@H](NC([C@H](CC1=CC=CC=C1)N)=O)CC(C)C)(=O)N2[C@H](C(N[C@@H](CC3=CC=CC=C3)C(NCC(N[C@@H](CC4=CC=CC=C4)C(N[C@H](C(N[C@H](C(=O)N5[C@H](C(N[C@@H]([C@@H](C)C)C(O)=O)=O)CCC5)CC(C)C)=O)[C@H](CC)C)=O)=O)=O)=O)CCC2

Molecular Formula

C62H88N10O11

Molecular Weight

1149.42

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Omramotide

CAS Number	2306406-71-1
PubChem CID	168510687
IUPAC Name	(2S)-2-[[(2S)-1-[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-1-[(2S)-2-[[(2S)-2-amino-3-phenylpropanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-phenylpropanoyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-3-methylpentanoyl]amino]-4-methylpentanoyl]pyrrolidine-2-carbonyl]amino]-3-methylbutanoic acid
Molecular Formula	C62H88N10O11
Molecular Weight	1149.4
XLogP	4.6
Topological Polar Surface Area	308
Hydrogen Bond Donor Count	9
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	30
Heavy Atom Count	83
Formal Charge	0
Complexity	2180

SMILES

CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](C(C)C)C(=O)O)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)CNC(=O)[C@H](CC3=CC=CC=C3)NC(=O)[C@@H]4CCCN4C(=O)[C@H](CC(C)C)NC(=O)[C@H](CC5=CC=CC=C5)N

InChI

InChI=1S/C62H88N10O11/c1-9-40(8)53(59(79)68-48(32-38(4)5)61(81)72-30-20-28-50(72)58(78)69-52(39(6)7)62(82)83)70-56(76)46(35-43-25-17-12-18-26-43)65-51(73)36-64-55(75)45(34-42-23-15-11-16-24-42)66-57(77)49-27-19-29-71(49)60(80)47(31-37(2)3)67-54(74)44(63)33-41-21-13-10-14-22-41/h10-18,21-26,37-40,44-50,52-53H,9,19-20,27-36,63H2,1-8H3,(H,64,75)(H,65,73)(H,66,77)(H,67,74)(H,68,79)(H,69,78)(H,70,76)(H,82,83)/t40-,44-,45-,46-,47-,48-,49-,50-,52-,53-/m0/s1

InChIKey

NMGKJFBSTPCKAQ-IZODFUJNSA-N

Chemical Structure

2D Structure

CAS: 2306406-71-1

CID: 168510687

Formula: C62H88N10O11

MW: 1149.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	1149.4
XLogP3	4.6
Hydrogen Bond Donor Count	9
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	30
Exact Mass	1148.66340366
Monoisotopic Mass	1148.66340366
Topological Polar Surface Area	308 Å²
Heavy Atom Count	83
Formal Charge	0
Complexity	2180
Isotope Atom Count	0
Defined Atom Stereocenter Count	10
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
MBS5823259	Omramotide

Omramotide

Chemical Information

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