Rigin

CAT: 0926-FR73584-03Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0926-FR73584-03Size:25 mg

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CAS Number

77727-17-4

MDL Number

MFCD00076880

Smiles

CCCCCCCCCCCCCCCC (=O) NCC (=O) N[C@@H] (CCC (=O) N) C (=O) N1CCC[C@H]1C (=O) N[C@@H] (CCCN=C (N) N) C (=O) O

Molecular Formula

C18H32N8O6

Molecular Weight

456.5 g/mol

Controlled

Chemical Information

Rigin

Rigin is an oligopeptide.

CAS Number	77727-17-4
PubChem CID	127555
IUPAC Name	(2S)-2-[[(2S)-1-[(2S)-5-amino-2-[(2-aminoacetyl)amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]-5-(diaminomethylideneamino)pentanoic acid
Molecular Formula	C18H32N8O6
Molecular Weight	456.5
XLogP	-7.7
Topological Polar Surface Area	249
Hydrogen Bond Donor Count	7
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	13
Heavy Atom Count	32
Formal Charge	0
Complexity	739

SMILES

C1C[C@H](N(C1)C(=O)[C@H](CCC(=O)N)NC(=O)CN)C(=O)N[C@@H](CCCN=C(N)N)C(=O)O

InChI

InChI=1S/C18H32N8O6/c19-9-14(28)24-10(5-6-13(20)27)16(30)26-8-2-4-12(26)15(29)25-11(17(31)32)3-1-7-23-18(21)22/h10-12H,1-9,19H2,(H2,20,27)(H,24,28)(H,25,29)(H,31,32)(H4,21,22,23)/t10-,11-,12-/m0/s1

InChIKey

UEJYSALTSUZXFV-SRVKXCTJSA-N

Chemical Structure

2D Structure

CAS: 77727-17-4

CID: 127555

Formula: C18H32N8O6

MW: 456.5

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	456.5
XLogP3	-7.7
Hydrogen Bond Donor Count	7
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	13
Exact Mass	456.24448077
Monoisotopic Mass	456.24448077
Topological Polar Surface Area	249 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	739
Isotope Atom Count	0
Defined Atom Stereocenter Count	3
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
GWB-4B15BC	Rigin
PE-55169-01	Rigin Peptide
SP-55169-1	Rigin [H-Gly-Gln-Pro-Arg-OH; MW: 456.51]

Rigin

Chemical Information

Alternative Products

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