Bremelanotide

CAT: 1299-RM-B132000-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-B132000-02Size:25 mg

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CAS Number

189691-06-3

Synonyms

(3S,6S,9R,12S,15S,23S) -12- ((1H-imidazol-4-yl) methyl) -3- ((1H-indol-3-yl) methyl) -15- ((S) -2-acetamidohexanamido) -9-benzyl-6- (3-guanidinopropyl) -2,5,8,11,14,17-hexaoxo-1,4,7,10,13,18-hexaazacyclotricosane-23-carboxylic acid

Molecular Formula

C50H68N14O10

Molecular Weight

1025.18

Target Alternative Name

Bremelanotide

Product Name Synonym

Chemical Information

Bremelanotide

Bremelanotide is an oligopeptide.

CAS Number	189691-06-3
PubChem CID	9941379
IUPAC Name	(3S,6S,9R,12S,15S,23S)-15-[[(2S)-2-acetamidohexanoyl]amino]-9-benzyl-6-[3-(diaminomethylideneamino)propyl]-12-(1H-imidazol-5-ylmethyl)-3-(1H-indol-3-ylmethyl)-2,5,8,11,14,17-hexaoxo-1,4,7,10,13,18-hexazacyclotricosane-23-carboxylic acid
Molecular Formula	C50H68N14O10
Molecular Weight	1025.2
XLogP	0.7
Topological Polar Surface Area	379
Hydrogen Bond Donor Count	13
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	17
Heavy Atom Count	74
Formal Charge	0
Complexity	1950

SMILES

CCCC[C@@H](C(=O)N[C@H]1CC(=O)NCCCC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](NC(=O)[C@@H](NC1=O)CC2=CN=CN2)CC3=CC=CC=C3)CCCN=C(N)N)CC4=CNC5=CC=CC=C54)C(=O)O)NC(=O)C

InChI

InChI=1S/C50H68N14O10/c1-3-4-16-35(58-29(2)65)43(67)64-41-25-42(66)54-20-11-10-18-37(49(73)74)60-46(70)39(23-31-26-56-34-17-9-8-15-33(31)34)62-44(68)36(19-12-21-55-50(51)52)59-45(69)38(22-30-13-6-5-7-14-30)61-47(71)40(63-48(41)72)24-32-27-53-28-57-32/h5-9,13-15,17,26-28,35-41,56H,3-4,10-12,16,18-25H2,1-2H3,(H,53,57)(H,54,66)(H,58,65)(H,59,69)(H,60,70)(H,61,71)(H,62,68)(H,63,72)(H,64,67)(H,73,74)(H4,51,52,55)/t35-,36-,37-,38+,39-,40-,41-/m0/s1

InChIKey

FFHBJDQSGDNCIV-MFVUMRCOSA-N

Chemical Structure

2D Structure

CAS: 189691-06-3

CID: 9941379

Formula: C50H68N14O10

MW: 1025.2

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	1025.2
XLogP3	0.7
Hydrogen Bond Donor Count	13
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	17
Exact Mass	1024.52428442
Monoisotopic Mass	1024.52428442
Topological Polar Surface Area	379 Å²
Heavy Atom Count	74
Formal Charge	0
Complexity	1950
Isotope Atom Count	0
Defined Atom Stereocenter Count	7
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
T20467-01	Bremelanotide
T7608-01	Bremelanotide Acetate
HY-18678A-01	Bremelanotide (Acetate)

Bremelanotide

Chemical Information

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