Argipressin, ala (10) -

CAT: 0931-TP2449-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0931-TP2449-01Size:100 mg

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CAS Number

115699-79-1

Bioactivity

Argipressin, ala (10) - is a Decapeptide that differs from argipressin in the addition of an N-terminal Ala-residue.

Smiles

C[C@H](N)C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)NCC(N)=O

Molecular Formula

C49H70N16O13S2

Molecular Weight

1155.32

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

Argipressin, ala(10)-

decapeptide; differs from argipressin in the addition of an N-terminal Ala-residue

CAS Number	115699-79-1
PubChem CID	3082734
IUPAC Name	N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-5-(diaminomethylideneamino)-1-oxopentan-2-yl]-1-[(4R,7S,10S,13S,16S,19R)-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-19-[[(2S)-2-aminopropanoyl]amino]-13-benzyl-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]pyrrolidine-2-carboxamide
Molecular Formula	C49H70N16O13S2
Molecular Weight	1155.3
XLogP	-5.1
Topological Polar Surface Area	544
Hydrogen Bond Donor Count	15
Hydrogen Bond Acceptor Count	17
Rotatable Bond Count	21
Heavy Atom Count	80
Formal Charge	0
Complexity	2250

SMILES

C[C@@H](C(=O)N[C@H]1CSSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=O)CC2=CC=C(C=C2)O)CC3=CC=CC=C3)CCC(=O)N)CC(=O)N)C(=O)N4CCCC4C(=O)N[C@@H](CCCN=C(N)N)C(=O)NCC(=O)N)N

InChI

InChI=1S/C49H70N16O13S2/c1-25(50)40(70)63-34-23-79-80-24-35(48(78)65-18-6-10-36(65)47(77)59-29(9-5-17-56-49(54)55)41(71)57-22-39(53)69)64-45(75)33(21-38(52)68)62-42(72)30(15-16-37(51)67)58-43(73)31(19-26-7-3-2-4-8-26)60-44(74)32(61-46(34)76)20-27-11-13-28(66)14-12-27/h2-4,7-8,11-14,25,29-36,66H,5-6,9-10,15-24,50H2,1H3,(H2,51,67)(H2,52,68)(H2,53,69)(H,57,71)(H,58,73)(H,59,77)(H,60,74)(H,61,76)(H,62,72)(H,63,70)(H,64,75)(H4,54,55,56)/t25-,29-,30-,31-,32-,33-,34-,35-,36?/m0/s1

InChIKey

LYCXWXBJDHHYTF-ARTPIOIJSA-N

Chemical Structure

2D Structure

CAS: 115699-79-1

CID: 3082734

Formula: C49H70N16O13S2

MW: 1155.3

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	1155.3
XLogP3	-5.1
Hydrogen Bond Donor Count	15
Hydrogen Bond Acceptor Count	17
Rotatable Bond Count	21
Exact Mass	1154.47496870
Monoisotopic Mass	1154.47496870
Topological Polar Surface Area	544 Å²
Heavy Atom Count	80
Formal Charge	0
Complexity	2250
Isotope Atom Count	0
Defined Atom Stereocenter Count	8
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Catalog	Name
T7434-01	Argipressin
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TP2450-01	Argipressin, des-glynh2 (9) -
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T7284-01	Argipressin acetate (113-79-1 (free base) )
T206832-01	MeO-Suc-Ala-Ala-Pro-Ala-CMK
T76608-01	H-D-Ala-D-Ala-D-Ala-D-Ala-OH
TYD-00885-01	Ala-Ala-Phe-AMC
T87729-01	Fmoc-Ala-Ala-PAB
TP2898-01	H-Ala-Ala-OH

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Catalog	Name
GTR19036684-01	Argipressin, ala (10) -
MBS5789714	Argipressin, ala(10)-
BA5830-10	Argipressin
A18285-50	Argipressin 50mg
HY-P0049A	Argipressin (diacetate)
A18285-25	Argipressin 25mg
C06830	Argipressin acetate
165443	Anti Argipressin Pab
HY-W539944-01	Argipressin (acetate)
A18285-1	Argipressin 1mg

Argipressin, ala (10) -

Chemical Information

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