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(2S)-N-[(2R)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide

HCID 178790040
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Basic information

CAS
39705-60-7
Standard SMILES
CC(C)C[C@@H](NC(=O)[C@@H]1CCCN1)C(=O)NCC(N)=O
InChIKey
NOOJLZTTWSNHOX-VHSXEESVSA-N
Molecular formula
C13H24N4O3
Average molar mass
284.35 g/mol

Names & identifiers

Preferred name
(2S)-N-[(2R)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
IUPAC
(2S)-N-[(2R)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide
English name
(D-LEU2)-MELANOCYTE-STIMULATING HORMONE-RELEASE INHIBITING FACTOR
Molecular formula
C13H24N4O3
Molecular weight
284.35

Names & synonyms

H-Pro-D-Leu-Gly-NH239705-60-7(2S)-N-[(2R)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide(D-LEU2)-MIF-I[D-LEU2]-MIF-1PRO-D-LEU-GLY-NH2Glycinamide, L-prolyl-D-leucyl- (9CI)DLeu2]-OMelanocyte- Stimulating Hormone-ReleaseI(D-LEU2)-MELANOCYTE-STIMULATING HORMONE-RELEASE INHIBITING FACTOR[D-LEU2]-MELANOCYTE STIMULATING HORMONE-RELEASE INHIBITING FACTOR-1

Database identifiers

CAS
39705-60-7

Properties

Computed structural propertiesFilling in

XLogP
-1.4
Topological polar surface area
113 Ų
Hydrogen bond donors
4
Hydrogen bond acceptors
4
Rotatable bonds
7
Heavy atoms
20
Formal charge
0
Complexity
371

Physicochemical properties

Melting point
171.5 · 171.5-173 °C
Boiling point
626.2 · 626.2±55.0 °C(Predicted)
Density
1.147 · 1.147±0.06 g/cm3(Predicted)
storage temp.
-15 °C · -15°C
pka
14.1 · 14.10±0.20(Predicted)

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