Desglugastrin

CAT: 0931-T202016-02Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0931-T202016-02Size:50 mg

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

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CAS Number

51987-65-6

Bioactivity

Desglugastrin is a compound that stimulates the secretion of gastric acid.

Smiles

C([C@@H](C(N[C@H](C(N[C@H](C(N[C@@H](CC1=CC=CC=C1)C(N)=O)=O)CC(O)=O)=O)CC(C)C)=O)NC(CNC([C@H](CC2=CC=C(O)C=C2)NC([C@@H](NC(CCCC(O)=O)=O)C)=O)=O)=O)C=3C=4C(NC3)=CC=CC4

Molecular Formula

C49H61N9O13

Molecular Weight

984.06

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Desglugastrin

RN given refers to all-L isomer

CAS Number	51987-65-6
PubChem CID	68687
IUPAC Name	5-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-2-oxoethyl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
Molecular Formula	C49H61N9O13
Molecular Weight	984.1
XLogP	1.5
Topological Polar Surface Area	357
Hydrogen Bond Donor Count	12
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	28
Heavy Atom Count	71
Formal Charge	0
Complexity	1850

SMILES

C[C@@H](C(=O)N[C@@H](CC1=CC=C(C=C1)O)C(=O)NCC(=O)N[C@@H](CC2=CNC3=CC=CC=C32)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC4=CC=CC=C4)C(=O)N)NC(=O)CCCC(=O)O

InChI

InChI=1S/C49H61N9O13/c1-27(2)20-36(47(69)58-39(24-43(64)65)49(71)55-35(44(50)66)21-29-10-5-4-6-11-29)57-48(70)38(23-31-25-51-34-13-8-7-12-33(31)34)54-41(61)26-52-46(68)37(22-30-16-18-32(59)19-17-30)56-45(67)28(3)53-40(60)14-9-15-42(62)63/h4-8,10-13,16-19,25,27-28,35-39,51,59H,9,14-15,20-24,26H2,1-3H3,(H2,50,66)(H,52,68)(H,53,60)(H,54,61)(H,55,71)(H,56,67)(H,57,70)(H,58,69)(H,62,63)(H,64,65)/t28-,35-,36-,37-,38-,39-/m0/s1

InChIKey

BRUVESZIOCJLDB-GJPUTSFASA-N

Chemical Structure

2D Structure

CAS: 51987-65-6

CID: 68687

Formula: C49H61N9O13

MW: 984.1

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	984.1
XLogP3	1.5
Hydrogen Bond Donor Count	12
Hydrogen Bond Acceptor Count	13
Rotatable Bond Count	28
Exact Mass	983.43888303
Monoisotopic Mass	983.43888303
Topological Polar Surface Area	357 Å²
Heavy Atom Count	71
Formal Charge	0
Complexity	1850
Isotope Atom Count	0
Defined Atom Stereocenter Count	6
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
GTR19242541-01	Desglugastrin

Desglugastrin

Chemical Information

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